Geometry & MOs

Info

ID:

168657

PubChem CID:

74999778

Reduced:

N2O9C37H43 (2)

Stoich.:

A2B9C37D43 (2)

Weight, g/mol:

363.118378

ΔHf, kcal/mol:

-619.44

Dipole, Da:

8.22

IP(EA), eV:

 -8.29(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

13-methyl-3-[methyl(oxido)phosphinothioyl]oxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

CCC(C1=CC2=C(C=C1)OCO2)C(=O)N3CCCCC3C(=O)OC(CCC4=CC(=C(C=C4)OC)OC)C5=CC(=CC=C5)OCC(=O)NCCNC(=O)COC6=CC=CC(=C6)C(CCC7=CC(=C(C=C7)OC)OC)OC(=O)C8CCCCN8C(=O)C(CC)C9=CC1=C(C=C9)OCO1

DOS

IR

Vibrations