Geometry & MOs

Info

ID:	222575
PubChem CID:	85305554
Reduced:	NO4C22H31 (1)
Stoich.:	AB4C22D31 (1)
Weight, g/mol:	373.225308
ΔH_f, kcal/mol:	-149.84
Dipole, Da:	6.62
IP(EA), eV:	-9.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-hydroxy-1-(11-hydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-ylidene)ethyl]formamide

Drug info:

PubChemData

Smile

CC1C2CCC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C(N1CO)O

DOS

IR

Vibrations