Geometry & MOs

Info

ID:	63530
PubChem CID:	26758564
Reduced:	BrFNO4H17C19 (1)
Stoich.:	ABCD4E17F19 (1)
Weight, g/mol:	386.166414
ΔH_f, kcal/mol:	-175.88
Dipole, Da:	8.48
IP(EA), eV:	-8.95(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[5-(diethylsulfamoyl)-2-methylphenyl]-3-(3-methylphenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=CC=C1)Br)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations