Geometry & MOs

Info

ID:	303304
PubChem CID:	124489485
Reduced:	ON3H15C17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	356.198759
ΔH_f, kcal/mol:	39.24
Dipole, Da:	3.48
IP(EA), eV:	-8.39(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S,10S,13S,14R,16R,17R)-17-hydroxy-17-(2-hydroxyacetyl)-10,13,16-trimethyl-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-3-one

Drug info:

PubChemData

Smile

CC1=C2C=CC=CC2=C(C3=CC=CC=C13)/C=N\NC(=O)N

DOS

IR

Vibrations