Geometry & MOs

Info

ID:	127918
PubChem CID:	51022980
Reduced:	NO3Cl6H11C15 (1)
Stoich.:	AB3C6D11E15 (1)
Weight, g/mol:	648.278831
ΔH_f, kcal/mol:	-41.88
Dipole, Da:	5.88
IP(EA), eV:	-9.98(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2S,5S,6R,8S,9R,10S,11R,12S)-6-[tert-butyl(dimethyl)silyl]oxy-12-methylsulfonyloxy-16-oxo-11-(phenylmethoxymethyl)-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylate

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]1C[C@@]2(C(=C([C@@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)OC3=CC=C(C=C3)[N+](=O)[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]1C[C@@]2(C(=C([C@@]1(C2(Cl)Cl)Cl)Cl)Cl)Cl)OC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):