Geometry & MOs

Info

ID:	139717
PubChem CID:	52584135
Reduced:	SN3O3C23H37 (1)
Stoich.:	AB3C3D23E37 (1)
Weight, g/mol:	466.148177
ΔH_f, kcal/mol:	-132.61
Dipole, Da:	7.19
IP(EA), eV:	-8.2(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[acetyl(ethyl)amino]methyl]phenyl]-2-[(S)-(4-chlorophenyl)-phenylmethyl]sulfanylacetamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)[C@H](CNC(=O)[C@H]2CCCN(C2)S(=O)(=O)C3=CC=CC=C3)C(C)C

DOS

IR

Vibrations