Geometry & MOs

Info

ID:	63550
PubChem CID:	26758603
Reduced:	BrNF2O4H16C19 (1)
Stoich.:	ABC2D4E16F19 (1)
Weight, g/mol:	440.04054
ΔH_f, kcal/mol:	-213.25
Dipole, Da:	4.36
IP(EA), eV:	-9.21(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations