Geometry & MOs

Info

ID:	996
PubChem CID:	3645
Reduced:	PO8C21H31 (1)
Stoich.:	AB8C21D31 (1)
Weight, g/mol:	442.175655
ΔH_f, kcal/mol:	-433.94
Dipole, Da:	6.55
IP(EA), eV:	-9.77(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethyl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COP(=O)(O)O)O)C)O

DOS

IR

Vibrations