Geometry & MOs

Info

ID:	69154
PubChem CID:	46525616
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	355.146681
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	6.3
IP(EA), eV:	-8.49(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-N-(5-ethyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CCN1CCC2=C(C1)SC(=N2)NC(=O)C3=CC=CC(=C3)CN4C(=O)C5=CC=CC=C5C4=O

DOS

IR

Vibrations