Geometry & MOs

Info

ID:	244114
PubChem CID:	99313694
Reduced:	FN3O3C20H20 (1)
Stoich.:	AB3C3D20E20 (1)
Weight, g/mol:	402.11619
ΔH_f, kcal/mol:	-98.26
Dipole, Da:	5.09
IP(EA), eV:	-8.65(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(dimethylsulfamoyl)-N-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]benzamide

Drug info:

PubChemData

Smile

CN1C=NC(=C1NC(=O)CC2=C(C=C(C=C2)OC)OC)C3=CC=C(C=C3)F

DOS

IR

Vibrations