Geometry & MOs

Info

ID:	298268
PubChem CID:	117648180
Reduced:	NOPC6H14 (1)
Stoich.:	ABCD6E14 (1)
Weight, g/mol:	494.412381
ΔH_f, kcal/mol:	-68.23
Dipole, Da:	3.17
IP(EA), eV:	-9.44(0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9S,10R,13R,14R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] 3,3-dimethylbutanoate

Drug info:

PubChemData

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CC(C)(C)CNC(=O)P

DOS

IR

Vibrations