Geometry & MOs

Info

ID:	249400
PubChem CID:	103089169
Reduced:	OSN2C12H18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	272.075012
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	3.68
IP(EA), eV:	-8.53(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chloroanilino)-5-methylsulfanylpentanamide

Drug info:

PubChemData

Smile

CSCCCC(C(=O)N)NC1=CC=CC=C1

DOS

IR

Vibrations