Geometry & MOs

Info

ID:	159915
PubChem CID:	57298376
Reduced:	ClF2N3O3H22C27 (1)
Stoich.:	AB2C3D3E22F27 (1)
Weight, g/mol:	261.093583
ΔH_f, kcal/mol:	-135.95
Dipole, Da:	5.91
IP(EA), eV:	-8.6(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-pyridin-3-yl-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2=C(O1)C=CC(=C2)NC(=O)N3C=C(C(=N3)C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)OC(F)F)C

DOS

IR

Vibrations