Geometry & MOs

Info

ID:	18809
PubChem CID:	548532
Reduced:	NCl2O3H11C16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	335.011599
ΔH_f, kcal/mol:	-41.15
Dipole, Da:	2.48
IP(EA), eV:	-9.22(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloroethyl 3-[5-(2-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=C(O2)C=C(C#N)C(=O)OCCCl)Cl

DOS

IR

Vibrations