Geometry & MOs

Info

ID:	73294
PubChem CID:	48417385
Reduced:	ION4H7C11 (1)
Stoich.:	ABC4D7E11 (1)
Weight, g/mol:	356.057926
ΔH_f, kcal/mol:	82.82
Dipole, Da:	3.85
IP(EA), eV:	-9.46(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-(benzenesulfonylmethyl)furan-2-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)N2C(=C(C=N2)C#N)N)I

DOS

IR

Vibrations