Geometry & MOs

Info

ID:	25554
PubChem CID:	626319
Reduced:	SCl2O2N3H9C12 (1)
Stoich.:	AB2C2D3E9F12 (1)
Weight, g/mol:	294.046299
ΔH_f, kcal/mol:	-31.5
Dipole, Da:	6.08
IP(EA), eV:	-9.56(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-yl)-2-[4-(2-hydroxyphenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)Cl)C(=O)CSC2=NC(=O)C=C(N2)N

DOS

IR

Vibrations