Geometry & MOs

Info

ID:	177774
PubChem CID:	76229266
Reduced:	O3N4H22C26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	426.0049
ΔH_f, kcal/mol:	7.23
Dipole, Da:	8.34
IP(EA), eV:	-8.79(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-2-fluorophenyl)-N-[3-(dimethylsulfamoyl)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN(C=C2C=CC(=O)NC3=CC=C(C=C3)C(=O)N)C4=CC=CC=C4

DOS

IR

Vibrations