Geometry & MOs

Info

ID:	73323
PubChem CID:	48417425
Reduced:	O3N5H11C12 (1)
Stoich.:	A3B5C11D12 (1)
Weight, g/mol:	395.105211
ΔH_f, kcal/mol:	-14.13
Dipole, Da:	6.83
IP(EA), eV:	-9.46(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]-N,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC(C(=O)N1C(=C(C=N1)C#N)N)NC(=O)C2=CC=CO2

DOS

IR

Vibrations