Geometry & MOs

Info

ID:

233053

PubChem CID:

87691967

Reduced:

OCl4N7H19C31 (1)

Stoich.:

AB4C7D19E31 (1)

Weight, g/mol:

489.287909

ΔHf, kcal/mol:

145.22

Dipole, Da:

10.57

IP(EA), eV:

 -9.16(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8S,13S,14S,17R)-17-acetyl-1-[4-(diethylamino)phenyl]-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl] formate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=C(C=C3C=CC=C(C3=N2)Cl)CNC4=NC=NC5=C4NC=N5)Cl.C1=CC2=CC(=C(N=C2C(=C1)Cl)Cl)C=O

DOS

IR

Vibrations