Geometry & MOs

Info

ID:	167655
PubChem CID:	74853472
Reduced:	SN3O6C25H29 (1)
Stoich.:	AB3C6D25E29 (1)
Weight, g/mol:	440.01941
ΔH_f, kcal/mol:	-180.02
Dipole, Da:	5.24
IP(EA), eV:	-9.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-5-ethoxy-4-methoxyphenyl)-2-(4-phenyl-1,3-thiazol-2-yl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C=CC(=O)OCC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

DOS

IR

Vibrations