Geometry & MOs

Info

ID:

185097

PubChem CID:

77255170

Reduced:

FS2O5N8C43H45 (1)

Stoich.:

AB2C5D8E43F45 (1)

Weight, g/mol:

390.240624

ΔHf, kcal/mol:

-72.08

Dipole, Da:

7.61

IP(EA), eV:

 -8.48(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

acetic acid;17-acetyl-1-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CCN1N=C(N=N1)CN2C3C=C(SC3C(=O)N(C2=O)C4CCN(CC4)C(=O)C5=CC=C(C=C5)C6=NC7CCSCC7C8=CC(=C(C=C86)OC)OCC)C9=CC=CC=C9F

DOS

IR

Vibrations