Geometry & MOs

Info

ID:	190188
PubChem CID:	77964542
Reduced:	O2N4F5C22H23 (1)
Stoich.:	A2B4C5D22E23 (1)
Weight, g/mol:	438.197714
ΔH_f, kcal/mol:	-293.72
Dipole, Da:	9.11
IP(EA), eV:	-9.15(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-hydroxy-10,13-dimethyl-17-(2-pyrimidin-2-ylsulfanylacetyl)-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1(CCC(=CC1)NCC(=O)N2CC(CC2C#N)F)C(=O)NC3=CC(=C(C=C3)F)C(F)(F)F

DOS

IR

Vibrations