Geometry & MOs

Info

ID:

219523

PubChem CID:

85149096

Reduced:

SN2O6C30H42 (1)

Stoich.:

AB2C6D30E42 (1)

Weight, g/mol:

558.334525

ΔHf, kcal/mol:

-199.36

Dipole, Da:

7.57

IP(EA), eV:

 -8.81(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6-hydroxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl)methyl 6-acetyloxy-1,4a-dimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carboxylate

Drug info:

PubChemData

Smile

CC1CC(C(C(C(C(=CC(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)N3CCC3)C)OC)C)S)C)O)OC

DOS

IR

Vibrations