Geometry & MOs

Info

ID:	262362
PubChem CID:	103288289
Reduced:	ClOSN2C13H13 (1)
Stoich.:	ABCD2E13F13 (1)
Weight, g/mol:	320.075012
ΔH_f, kcal/mol:	3.1
Dipole, Da:	1.2
IP(EA), eV:	-8.19(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-6-methylphenyl)-2-[(2-chlorophenyl)methylsulfanyl]acetamide

Drug info:

PubChemData

Smile

COC1=NC(=C(C=C1)N)SCC2=CC=CC=C2Cl

DOS

IR

Vibrations