Geometry & MOs

Info

ID:

168154

PubChem CID:

74930221

Reduced:

F3N5O7C30H38 (1)

Stoich.:

A3B5C7D30E38 (1)

Weight, g/mol:

467.21303

ΔHf, kcal/mol:

-416.6

Dipole, Da:

6.95

IP(EA), eV:

 -9.84(-1.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

11,17-dihydroxy-10,13-dimethyl-17-[2-(6-methylpyridin-2-yl)sulfanylacetyl]-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C1=NN=C(O1)C2=CC=C(C=C2)C(F)(F)F)NC(=O)C3CCCN3C(=O)C(C(C)C)NC(=O)CCCCC(=O)O

DOS

IR

Vibrations