Geometry & MOs

Info

ID:	167638
PubChem CID:	74851001
Reduced:	NCl2F2O3H11C17 (1)
Stoich.:	AB2C2D3E11F17 (1)
Weight, g/mol:	498.041913
ΔH_f, kcal/mol:	-169.83
Dipole, Da:	2.6
IP(EA), eV:	-9.2(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-(3,4-dichlorophenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)Cl)Cl

DOS

IR

Vibrations