Geometry & MOs

Info

ID:	140861
PubChem CID:	52772421
Reduced:	NSF3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	321.059028
ΔH_f, kcal/mol:	-278.72
Dipole, Da:	9.58
IP(EA), eV:	-8.6(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(3-chlorophenyl)-2-(2-methoxyphenyl)sulfanylpropanamide

Drug info:

PubChemData

Smile

COCCOC1=C(C=C(C=C1)C(F)(F)F)NC(=O)CSC2=CC=CC=C2OC

DOS

IR

Vibrations