Geometry & MOs

Info

ID:	192607
PubChem CID:	78290895
Reduced:	Cl2N2O4H16C19 (1)
Stoich.:	A2B2C4D16E19 (1)
Weight, g/mol:	392.97828
ΔH_f, kcal/mol:	-75.09
Dipole, Da:	4.11
IP(EA), eV:	-9.05(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromo-4,5-dimethoxyphenyl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=C(C#N)C(=O)NC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations