Geometry & MOs

Info

ID:	31759
PubChem CID:	3717995
Reduced:	NOC17H19 (1)
Stoich.:	ABC17D19 (1)
Weight, g/mol:	334.054277
ΔH_f, kcal/mol:	-4.87
Dipole, Da:	3.02
IP(EA), eV:	-8.49(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]amino]benzamide

Drug info:

PubChemData

Smile

C1CN(C2=CC=CC=C21)CC(CC3=CC=CC=C3)O

DOS

IR

Vibrations