Geometry & MOs

Info

ID:	243181
PubChem CID:	99216613
Reduced:	SO2N6C21H22 (1)
Stoich.:	AB2C6D21E22 (1)
Weight, g/mol:	396.136845
ΔH_f, kcal/mol:	25.97
Dipole, Da:	6.95
IP(EA), eV:	-8.71(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)NCCN3C(=O)N4C=CC=CC4=N3)C

DOS

IR

Vibrations