Geometry & MOs

Info

ID:

46833

PubChem CID:

10527720

Reduced:

Cl3N3O5H10C18 (1)

Stoich.:

A3B3C5D10E18 (1)

Weight, g/mol:

454.344695

ΔHf, kcal/mol:

-71.71

Dipole, Da:

9.68

IP(EA), eV:

 -9.59(-1.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,2R,7S,10R,11R,16R,20R,22S)-7-hydroxy-1,2,6,6,10,22-hexamethyl-17-methylidene-19-oxahexacyclo[12.10.0.02,11.05,10.015,22.016,20]tetracosan-18-one

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)/C=C/C2=C(NC3=C2C(=CC(=C3)Cl)Cl)C(=O)O)[N+](=O)[O-])Cl

DOS

IR

Vibrations