Geometry & MOs

Info

ID:	56391
PubChem CID:	17425306
Reduced:	OSN5C21H21 (1)
Stoich.:	ABC5D21E21 (1)
Weight, g/mol:	399.132923
ΔH_f, kcal/mol:	57.63
Dipole, Da:	5.83
IP(EA), eV:	-8.88(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(difluoromethyl)-2-[1-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]benzimidazole

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1C#N)SCC(=O)NC(C2=CC=CC=C2)C3=NC=CN3C)C

DOS

IR

Vibrations