Geometry & MOs

Info

ID:	133480
PubChem CID:	51533615
Reduced:	FSO3N5C22H27 (1)
Stoich.:	ABC3D5E22F27 (1)
Weight, g/mol:	390.140199
ΔH_f, kcal/mol:	-108.54
Dipole, Da:	8.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.824839
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-3-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]benzamide

Drug info:

PubChemData

Smile

CC1=C([NH+]=CN1)CNC2=CC(=CC(=C2)C(=O)NC3=CC(=CC=C3)F)S(=O)(=O)NC(C)(C)C

DOS

IR

Vibrations