Geometry & MOs

Info

ID:	37697
PubChem CID:	8023381
Reduced:	ClSO2N3C21H22 (1)
Stoich.:	ABC2D3E21F22 (1)
Weight, g/mol:	333.102137
ΔH_f, kcal/mol:	-17.53
Dipole, Da:	3.82
IP(EA), eV:	-8.5(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-N-(5-methyl-4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-5-ium-2-yl)-4-nitrobenzamide

Drug info:

PubChemData

Smile

CN(CC1=C(N=C2C=C(C=CC2=C1)OC)Cl)CC(=O)NC3=CC=CC=C3SC

DOS

IR

Vibrations