Geometry & MOs

Info

ID:	129385
PubChem CID:	51072454
Reduced:	OSN3C19H19 (1)
Stoich.:	ABC3D19E19 (1)
Weight, g/mol:	215.017163
ΔH_f, kcal/mol:	24.09
Dipole, Da:	2.75
IP(EA), eV:	-9.05(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chlorophenyl)-2-methylsulfanylacetamide

Drug info:

PubChemData

Smile

C1CN(CC2=CC=CC=C21)C(=O)CSCC3=NC4=CC=CC=C4N3

DOS

IR

Vibrations