Geometry & MOs

Info

ID:

6183

PubChem CID:

67371

Reduced:

ClN3O5C24H32 (1)

Stoich.:

AB3C5D24E32 (1)

Weight, g/mol:

477.203049

ΔHf, kcal/mol:

-190.24

Dipole, Da:

4.47

IP(EA), eV:

 -9.1(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl) 2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanoate

Drug info:

PubChemData

Smile

CC(C(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)C)NC(=O)N(CCCl)N=O

DOS

IR

Vibrations