Geometry & MOs

Info

ID:	47469
PubChem CID:	10533037
Reduced:	NCl3O10C34H52 (1)
Stoich.:	AB3C10D34E52 (1)
Weight, g/mol:	744.390489
ΔH_f, kcal/mol:	-510.82
Dipole, Da:	4.58
IP(EA), eV:	-10.02(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,6R,7R,11S,12R,13S,14S,16S)-11-(acetyloxymethyl)-14-hydroxy-11-methoxycarbonyloxy-4,4,7,17,18,18-hexamethyl-16-triethylsilyloxy-3,5-dioxatetracyclo[12.3.1.02,6.07,12]octadec-1(17)-en-13-yl] benzoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=CC=CC=C2)CO)O)OC(=O)OCC(Cl)(Cl)Cl)OC(=O)CCC

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CCCCCCCCCCC[C@H](CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OCC2=CC=CC=C2)CO)O)OC(=O)OCC(Cl)(Cl)Cl)OC(=O)CCC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):