Geometry & MOs

Info

ID:	192608
PubChem CID:	78291007
Reduced:	BrSN3O3H12C15 (1)
Stoich.:	ABC3D3E12F15 (1)
Weight, g/mol:	363.04444
ΔH_f, kcal/mol:	4.34
Dipole, Da:	3.36
IP(EA), eV:	-8.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5-ethoxy-4-methoxyphenyl)-2-cyano-N-(1,3-thiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C=C(C#N)C(=O)NC2=NC=CS2)Br)OC

DOS

IR

Vibrations