Geometry & MOs

Info

ID:	60664
PubChem CID:	26697368
Reduced:	SN3O3C16H21 (1)
Stoich.:	AB3C3D16E21 (1)
Weight, g/mol:	337.109627
ΔH_f, kcal/mol:	-96.34
Dipole, Da:	9.0
IP(EA), eV:	-9.65(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(cyclopentylamino)-2-oxoethyl]-4-methylsulfanyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)NC(=O)CCCNC2=NS(=O)(=O)C3=CC=CC=C32

DOS

IR

Vibrations