Geometry & MOs

Info

ID:	384826
PubChem CID:	134977752
Reduced:	P2S2O3C6H16 (1)
Stoich.:	A2B2C3D6E16 (1)
Weight, g/mol:	466.321197
ΔH_f, kcal/mol:	-272.74
Dipole, Da:	3.53
IP(EA), eV:	-9.11(0.0)
Spin(S_z, S²):	None, None
Charge, e:	-2

Chem-info

IUPAC name:

[(3S,5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] phosphate

Drug info:

PubChemData

Smile

CCSP(=O)(C)OP(=O)(C)SCC

DOS

IR

Vibrations