Geometry & MOs

Info

ID:	393201
PubChem CID:	135019704
Reduced:	ClNSO2H20C22 (1)
Stoich.:	ABCD2E20F22 (1)
Weight, g/mol:	280.14633
ΔH_f, kcal/mol:	-23.82
Dipole, Da:	7.39
IP(EA), eV:	-8.96(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(S)-hydroxy-(4-phenylphenyl)methyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC3=CC=CC=C3C2CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations