Geometry & MOs

Info

ID:	61905
PubChem CID:	26715563
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	424.156912
ΔH_f, kcal/mol:	-88.0
Dipole, Da:	8.48
IP(EA), eV:	-9.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[3-(butylsulfamoyl)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC)C

DOS

IR

Vibrations