Geometry & MOs

Info

ID:	62623
PubChem CID:	26725302
Reduced:	ClFSN3O3H11C17 (1)
Stoich.:	ABCD3E3F11G17 (1)
Weight, g/mol:	377.040104
ΔH_f, kcal/mol:	-16.56
Dipole, Da:	2.38
IP(EA), eV:	-9.28(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(2-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-ethoxypyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=NC(=CS2)C3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

DOS

IR

Vibrations