Geometry & MOs

Info

ID:	73366
PubChem CID:	48417530
Reduced:	SO2N6H8C10 (1)
Stoich.:	AB2C6D8E10 (1)
Weight, g/mol:	312.04811
ΔH_f, kcal/mol:	41.73
Dipole, Da:	12.6
IP(EA), eV:	-8.94(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-[5-(2-fluorophenyl)thiophene-2-carbonyl]pyrazole-4-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)NC1=NC(=CS1)C(=O)N2C(=C(C=N2)C#N)N

DOS

IR

Vibrations