Geometry & MOs

Info

ID:	28731
PubChem CID:	829229
Reduced:	ClN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	322.113984
ΔH_f, kcal/mol:	-68.78
Dipole, Da:	3.31
IP(EA), eV:	-9.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(4-methylphenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]phenol

Drug info:

PubChemData

Smile

CCC1=C([C@@H](C(=C(O1)N)C#N)C2=CC(=CC=C2)Cl)C(=O)OC

DOS

IR

Vibrations