Geometry & MOs

Info

ID:	55638
PubChem CID:	17395706
Reduced:	OS2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	357.071802
ΔH_f, kcal/mol:	56.92
Dipole, Da:	5.31
IP(EA), eV:	-9.04(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(thiophen-2-ylmethyl)-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1=CC=CS1)SC2=NNC(=N2)C3=CC=CC=C3

DOS

IR

Vibrations