Geometry & MOs

Info

ID:	147767
PubChem CID:	53787425
Reduced:	N2C17H26 (1)
Stoich.:	A2B17C26 (1)
Weight, g/mol:	353.181336
ΔH_f, kcal/mol:	6.49
Dipole, Da:	2.88
IP(EA), eV:	-8.4(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,9S,10R,13R,14S)-10,13-dimethyl-2-(1,3-thiazol-4-yl)-1,2,6,7,8,9,11,12,14,15-decahydrocyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CNC(C1CCC2C(C1)CC3=CC=CC=C23)N(C)C

DOS

IR

Vibrations