Geometry & MOs

Info

ID:	56162
PubChem CID:	17422328
Reduced:	SN3O3H15C17 (1)
Stoich.:	AB3C3D15E17 (1)
Weight, g/mol:	337.088498
ΔH_f, kcal/mol:	-24.09
Dipole, Da:	2.69
IP(EA), eV:	-8.37(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(4-methoxyphenyl)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CN2C(=C(N=C2S1)C)/C=C/C(=O)NC3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations