Geometry & MOs

Info

ID:	398001
PubChem CID:	135031302
Reduced:	NSO4C24H27 (1)
Stoich.:	ABC4D24E27 (1)
Weight, g/mol:	286.19328
ΔH_f, kcal/mol:	-113.43
Dipole, Da:	6.76
IP(EA), eV:	-8.62(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4,4-dimethyl-3-oxopentyl)-2-phenylcyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=CC=CC=C32)CCCC(CC=C)C(=O)OC

DOS

IR

Vibrations