Geometry & MOs

Info

ID:	167656
PubChem CID:	74853532
Reduced:	BrSN2O2H17C21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	440.01941
ΔH_f, kcal/mol:	53.05
Dipole, Da:	3.0
IP(EA), eV:	-8.68(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)C=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)Br)OC

DOS

IR

Vibrations