Geometry & MOs

Info

ID:	130790
PubChem CID:	51107832
Reduced:	FON3H6C7 (2)
Stoich.:	ABC3D6E7 (2)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	-60.22
Dipole, Da:	3.11
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxocyclohexa-2,5-dien-1-ylidene)-N-(1-pyridin-4-ylethyl)-3H-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C(=O)NC2=NNC(=N2)C3=CC=CC=C3OC(F)F

DOS

IR

Vibrations