Geometry & MOs

Info

ID:	35297
PubChem CID:	7979646
Reduced:	SN2O6C20H22 (1)
Stoich.:	AB2C6D20E22 (1)
Weight, g/mol:	282.076633
ΔH_f, kcal/mol:	-194.54
Dipole, Da:	8.14
IP(EA), eV:	-10.09(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-oxo-4-(2-phenoxyanilino)but-2-enoate

Drug info:

PubChemData

Smile

CC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)C2=CC=CC=C2

DOS

IR

Vibrations