Geometry & MOs

Info

ID:	234439
PubChem CID:	92298439
Reduced:	SO2N3C21H25 (1)
Stoich.:	AB2C3D21E25 (1)
Weight, g/mol:	276.037564
ΔH_f, kcal/mol:	-68.51
Dipole, Da:	5.71
IP(EA), eV:	-8.82(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(3-chlorophenyl)-2-phenylsulfanylpropan-1-one

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=NC2=CC=CC=C2S1)NC(=O)C34CC5CC(C3)CC(C5)C4

DOS

IR

Vibrations