Geometry & MOs

Info

ID:	171637
PubChem CID:	75409026
Reduced:	SN2O3H16C24 (1)
Stoich.:	AB2C3D16E24 (1)
Weight, g/mol:	390.053798
ΔH_f, kcal/mol:	35.42
Dipole, Da:	5.77
IP(EA), eV:	-8.94(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-3-[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]-2-cyanoprop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C(/C#N)\C2=NC3=CC=CC=C3S2)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations