Geometry & MOs

Info

ID:	133481
PubChem CID:	51533861
Reduced:	SN2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	390.140199
ΔH_f, kcal/mol:	-18.34
Dipole, Da:	4.52
IP(EA), eV:	-8.96(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C2=CC=CC=C2)SC3=CC=CC=C3

DOS

IR

Vibrations