Geometry & MOs

Info

ID:

215176

PubChem CID:

85084306

Reduced:

NO3C23H30 (2)

Stoich.:

AB3C23D30 (2)

Weight, g/mol:

736.398493

ΔHf, kcal/mol:

-261.08

Dipole, Da:

4.95

IP(EA), eV:

 -8.62(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[3-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]ethoxy]-7,12-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid

Drug info:

PubChemData

Smile

CC(CCC(=O)OC)C1CCC2C1(C3CC4C2CCC5C4(CCC(C5)OC(=O)CCCC6=CC7=C(C=C6)N8CC9=C(C=CC(=C9)CC(=O)O3)N(C7)C8)C)C

DOS

IR

Vibrations