Geometry & MOs

Info

ID:

218700

PubChem CID:

85089830

Reduced:

ClO3N6C22H29 (1)

Stoich.:

AB3C6D22E29 (1)

Weight, g/mol:

496.18244

ΔHf, kcal/mol:

-82.52

Dipole, Da:

1.74

IP(EA), eV:

 -8.56(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[12-(bromomethylidene)-4-hydroxy-3,6,9-trimethyl-3-tetracyclo[6.6.1.02,6.011,15]pentadeca-7,11(15)-dienyl]-2-methylpentane-1,2,3,4-tetrol

Drug info:

PubChemData

Smile

CC1C(C2=C(N=C(C(=O)N2C1C(=O)NCC3=CC=C(C=C3)C(N)N)NC4CCC4)Cl)CO

DOS

IR

Vibrations