Geometry & MOs

Info

ID:	242874
PubChem CID:	99213532
Reduced:	FSN2O4C22H23 (1)
Stoich.:	ABC2D4E22F23 (1)
Weight, g/mol:	428.115441
ΔH_f, kcal/mol:	-126.39
Dipole, Da:	6.54
IP(EA), eV:	-9.29(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-[4-[[3-(methylsulfamoyl)benzoyl]amino]phenyl]pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCN([C@H](C)C1=CC2=CC=CC=C2O1)C(=O)C3=CC(=C(C=C3)F)S(=O)(=O)NCC=C

DOS

IR

Vibrations