Geometry & MOs

Info

ID:	73095
PubChem CID:	48416985
Reduced:	O2N5C15H15 (1)
Stoich.:	A2B5C15D15 (1)
Weight, g/mol:	385.064489
ΔH_f, kcal/mol:	3.18
Dipole, Da:	7.57
IP(EA), eV:	-9.46(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-amino-4-cyanopyrazole-1-carbonyl)-N-(4-fluorophenyl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2C(=C(C=N2)C#N)N)C

DOS

IR

Vibrations