Geometry & MOs

Info

ID:	73044
PubChem CID:	48416872
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	324.133474
ΔH_f, kcal/mol:	-9.46
Dipole, Da:	6.08
IP(EA), eV:	-9.41(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2C(=C(C=N2)C#N)N)S(=O)(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations