Geometry & MOs

Info

ID:	194796
PubChem CID:	78590912
Reduced:	NCl2O5H15C19 (1)
Stoich.:	AB2C5D15E19 (1)
Weight, g/mol:	374.022498
ΔH_f, kcal/mol:	-162.86
Dipole, Da:	1.42
IP(EA), eV:	-9.31(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations