Geometry & MOs

Info

ID:	147746
PubChem CID:	53787404
Reduced:	NOH8C11 (2)
Stoich.:	ABC8D11 (2)
Weight, g/mol:	368.235145
ΔH_f, kcal/mol:	4.9
Dipole, Da:	2.55
IP(EA), eV:	-8.38(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,11S,13S,14S)-11-[2-hydroxy-1-(3-hydroxyprop-1-enyl)cyclopropyl]-13-methyl-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2NC=C3CCN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations