Geometry & MOs

Info

ID:

187543

PubChem CID:

77587896

Reduced:

N3O6C22H27 (1)

Stoich.:

A3B6C22D27 (1)

Weight, g/mol:

742.444469

ΔHf, kcal/mol:

-253.11

Dipole, Da:

6.42

IP(EA), eV:

 -9.95(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl) 5-(3,17-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-1-yl)-5-pentanoyloxypentanoate

Drug info:

PubChemData

Smile

CC1C(C(=O)NC1=O)C(=O)C(C2CCCC2)NC(=O)CC(C3=CC=CC=C3)NC(=O)O

DOS

IR

Vibrations