Geometry & MOs

Info

ID:	214428
PubChem CID:	84982048
Reduced:	S3N5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	336.079619
ΔH_f, kcal/mol:	137.25
Dipole, Da:	8.31
IP(EA), eV:	-8.33(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methylphenyl)-2-[1-(3-chlorophenyl)ethylamino]acetamide

Drug info:

PubChemData

Smile

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)CN4C(=S)N=C(N4)C5=CC=CS5

DOS

IR

Vibrations