Geometry & MOs

Info

ID:	1700
PubChem CID:	4895
Reduced:	O6C23H30 (1)
Stoich.:	A6B23C30 (1)
Weight, g/mol:	402.204239
ΔH_f, kcal/mol:	-258.4
Dipole, Da:	6.66
IP(EA), eV:	-9.72(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O

DOS

IR

Vibrations