Geometry & MOs

Info

ID:	195134
PubChem CID:	78641762
Reduced:	FO2S2N3C20H22 (1)
Stoich.:	AB2C2D3E20F22 (1)
Weight, g/mol:	406.136257
ΔH_f, kcal/mol:	-52.05
Dipole, Da:	3.72
IP(EA), eV:	-8.67(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-N-[2-(3-fluorophenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

C=CCN(CC=C)C(=O)CSC1NC2C(C(=CS2)C3=CC=C(C=C3)F)C(=O)N1

DOS

IR

Vibrations