Geometry & MOs

Info

ID:	307900
PubChem CID:	125310673
Reduced:	SiO2C18H36 (1)
Stoich.:	AB2C18D36 (1)
Weight, g/mol:	507.262088
ΔH_f, kcal/mol:	-202.17
Dipole, Da:	2.22
IP(EA), eV:	-8.84(1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R,2R,3E,5S,7R,9E,11S,12S,15S,16S)-16-benzyl-5,12-dihydroxy-5,7,13,14-tetramethyl-6,18-dioxo-17-azatricyclo[9.7.0.01,15]octadeca-3,9,13-trien-2-yl] acetate

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

C[C@@H]([C@@H]1CC[C@H]2[C@@]1(CCC[C@H]2O[Si](C)(C)C(C)(C)C)C)O

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

C[C@@H]([C@@H]1CC[C@H]2[C@@]1(CCC[C@H]2O[Si](C)(C)C(C)(C)C)C)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):