Geometry & MOs

Info

ID:	179524
PubChem CID:	76493720
Reduced:	O7C8H12 (1)
Stoich.:	A7B8C12 (1)
Weight, g/mol:	390.240624
ΔH_f, kcal/mol:	-299.51
Dipole, Da:	2.04
IP(EA), eV:	-10.75(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12-acetyloxy-10,13-dimethyl-17-oxo-2,3,4,5,6,7,8,9,11,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-12-yl) acetate

Drug info:

PubChemData

Smile

CC(=O)C1(C(C(OC1=O)C(CO)O)O)O

DOS

IR

Vibrations