Geometry & MOs

Info

ID:	395432
PubChem CID:	135025445
Reduced:	ClMgNC8H18 (1)
Stoich.:	ABCD8E18 (1)
Weight, g/mol:	562.21204
ΔH_f, kcal/mol:	-85.18
Dipole, Da:	3.56
IP(EA), eV:	-8.12(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(8S,9S,11S,13S,14S,17S)-11-hydroxy-13-methyl-3-oxo-7,8,9,10,11,12,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] diphenyl phosphate

Drug info:

PubChemData

Smile

CCCC[N-]CCCC.[Mg+2].[Cl-]

DOS

IR

Vibrations