Geometry & MOs

Info

ID:	157556
PubChem CID:	56435682
Reduced:	O2F3N5H18C19 (1)
Stoich.:	A2B3C5D18E19 (1)
Weight, g/mol:	498.230077
ΔH_f, kcal/mol:	-136.72
Dipole, Da:	4.56
IP(EA), eV:	-9.02(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-ditert-butylpyrazol-3-yl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide

Drug info:

PubChemData

Smile

CC1=NOC(=N1)CCCNC(=O)C2=C(N=CC=C2)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations