Geometry & MOs

Info

ID:	135579
PubChem CID:	51896383
Reduced:	ClN2O2S2C15H19 (1)
Stoich.:	AB2C2D2E15F19 (1)
Weight, g/mol:	321.111829
ΔH_f, kcal/mol:	-37.8
Dipole, Da:	6.41
IP(EA), eV:	-9.09(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N'-(3-chloro-2-methylphenyl)-N-[2-(2-methyl-1H-imidazol-3-ium-3-yl)ethyl]oxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)S(=O)(=O)NC[C@H](C2=CSC=C2)N(C)C

DOS

IR

Vibrations