Geometry & MOs

Info

ID:	245205
PubChem CID:	99437879
Reduced:	SO3N6H24C25 (1)
Stoich.:	AB3C6D24E25 (1)
Weight, g/mol:	427.131425
ΔH_f, kcal/mol:	-9.06
Dipole, Da:	12.63
IP(EA), eV:	-8.83(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]amino]phenyl]pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1=CC=C(C=C1)N2C=CC(=N2)C(=O)N)NC(=O)C3=NC4=CC=CC=C4C=C3

DOS

IR

Vibrations