Geometry & MOs

Info

ID:	262365
PubChem CID:	103288402
Reduced:	ClSN2C15H17 (1)
Stoich.:	ABC2D15E17 (1)
Weight, g/mol:	320.075012
ΔH_f, kcal/mol:	36.62
Dipole, Da:	2.75
IP(EA), eV:	-9.02(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-aminophenyl)-3-[(2-chlorophenyl)methylsulfanyl]propanamide

Drug info:

PubChemData

Smile

CC(C(C1=CN=CC=C1)SCC2=CC=CC=C2Cl)N

DOS

IR

Vibrations