Geometry & MOs

Info

ID:	62063
PubChem CID:	26717331
Reduced:	ON3C22H25 (1)
Stoich.:	AB3C22D25 (1)
Weight, g/mol:	426.172562
ΔH_f, kcal/mol:	16.54
Dipole, Da:	1.31
IP(EA), eV:	-9.19(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(butylsulfamoyl)phenyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC[C@H](CNC(=O)C1=C(N(N=C1C)C2=CC=CC=C2)C)C3=CC=CC=C3

DOS

IR

Vibrations