Geometry & MOs

Info

ID:	564
PubChem CID:	3001
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-205.18
Dipole, Da:	6.17
IP(EA), eV:	-9.79(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

DOS

IR

Vibrations