Geometry & MOs

Info

ID:	73033
PubChem CID:	48416849
Reduced:	SO2N6H12C16 (1)
Stoich.:	AB2C6D12E16 (1)
Weight, g/mol:	395.105211
ΔH_f, kcal/mol:	61.46
Dipole, Da:	8.88
IP(EA), eV:	-9.32(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-amino-4-cyanopyrazole-1-carbonyl)phenyl]-3,4-dimethylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NC(=CS2)CC(=O)N3C(=C(C=N3)C#N)N

DOS

IR

Vibrations