Geometry & MOs

Info

ID:	63521
PubChem CID:	26758543
Reduced:	FN2O5H17C19 (1)
Stoich.:	AB2C5D17E19 (1)
Weight, g/mol:	451.09687
ΔH_f, kcal/mol:	-213.28
Dipole, Da:	2.25
IP(EA), eV:	-9.03(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-chloro-3-nitrophenyl)-N-[5-(diethylsulfamoyl)-2-methylphenyl]prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations