Geometry & MOs

Info

ID:	167637
PubChem CID:	74850668
Reduced:	S2N3O3C15H17 (1)
Stoich.:	A2B3C3D15E17 (1)
Weight, g/mol:	385.008405
ΔH_f, kcal/mol:	-68.7
Dipole, Da:	0.94
IP(EA), eV:	-8.89(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1NC(CC(=O)N1)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CS3

DOS

IR

Vibrations