Geometry & MOs

Info

ID:	167657
PubChem CID:	74853533
Reduced:	BrSN2O2H17C21 (1)
Stoich.:	ABC2D2E17F21 (1)
Weight, g/mol:	344.098334
ΔH_f, kcal/mol:	52.73
Dipole, Da:	2.03
IP(EA), eV:	-8.7(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-phenyl-1,3-thiazol-2-yl)-3-(4-prop-2-enoxyphenyl)prop-2-enenitrile

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1Br)C=C(C#N)C2=NC(=CS2)C3=CC=CC=C3)OC

DOS

IR

Vibrations