Geometry & MOs

Info

ID:	73253
PubChem CID:	48417284
Reduced:	OSN4H16C19 (1)
Stoich.:	ABC4D16E19 (1)
Weight, g/mol:	374.09498
ΔH_f, kcal/mol:	84.62
Dipole, Da:	4.96
IP(EA), eV:	-9.18(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)SCC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations