Geometry & MOs

Info

ID:	65136
PubChem CID:	29204515
Reduced:	FN2S2O3C19H19 (1)
Stoich.:	AB2C2D3E19F19 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	-110.35
Dipole, Da:	4.74
IP(EA), eV:	-9.28(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(diethylsulfamoyl)phenyl]-4-(5-methylpyrazol-1-yl)benzamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC3=C(S2)C=C(C=C3)F

DOS

IR

Vibrations