Geometry & MOs

Info

ID:	55568
PubChem CID:	17395573
Reduced:	OSN5C19H21 (1)
Stoich.:	ABC5D19E21 (1)
Weight, g/mol:	351.115381
ΔH_f, kcal/mol:	58.78
Dipole, Da:	3.02
IP(EA), eV:	-8.79(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)C(C)SC2=NN=C(N2C)C3=CN=CC=C3

DOS

IR

Vibrations