Geometry & MOs

Info

ID:	157454
PubChem CID:	56430262
Reduced:	S2O3N6C22H24 (1)
Stoich.:	A2B3C6D22E24 (1)
Weight, g/mol:	409.146013
ΔH_f, kcal/mol:	-14.22
Dipole, Da:	8.49
IP(EA), eV:	-9.41(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CCC(=O)NCC3=NC(=CS3)C4=CC=NC=C4

DOS

IR

Vibrations