Geometry & MOs

Info

ID:	243180
PubChem CID:	99216605
Reduced:	SO4N5H21C22 (1)
Stoich.:	AB4C5D21E22 (1)
Weight, g/mol:	422.152495
ΔH_f, kcal/mol:	-52.95
Dipole, Da:	8.7
IP(EA), eV:	-8.82(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)NCCN3C(=O)N4C=CC=CC4=N3

DOS

IR

Vibrations