Geometry & MOs

Info

ID:	157483
PubChem CID:	56430481
Reduced:	N2O3C22H24 (1)
Stoich.:	A2B3C22D24 (1)
Weight, g/mol:	389.015639
ΔH_f, kcal/mol:	-51.89
Dipole, Da:	2.86
IP(EA), eV:	-7.9(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2,5-dichlorophenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)/C=C/C(=O)NC2=C3C=CN(C3=CC=C2)C)OC

DOS

IR

Vibrations