Geometry & MOs

Info

ID:

222784

PubChem CID:

85332456

Reduced:

NCl2O5C27H37 (1)

Stoich.:

AB2C5D27E37 (1)

Weight, g/mol:

526.389945

ΔHf, kcal/mol:

-237.41

Dipole, Da:

2.87

IP(EA), eV:

 -9.34(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(2-aminoethylamino)-17-(4-diethoxyphosphorylbutan-2-yl)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-ol

Drug info:

PubChemData

Smile

CCC1C(C(CCCC(=CCC(OC(=O)CC(C(C1=O)(C)C)O)C(=CC2=CC=CC=N2)Cl)Cl)C)O

DOS

IR

Vibrations