Geometry & MOs

Info

ID:	367148
PubChem CID:	127323541
Reduced:	SO2N5C17H27 (1)
Stoich.:	AB2C5D17E27 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	-76.27
Dipole, Da:	3.01
IP(EA), eV:	-9.05(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzimidazol-1-yl)-N-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)CSCC(=O)N3CCCCC3

DOS

IR

Vibrations