Geometry & MOs

Info

ID:	56664
PubChem CID:	17505357
Reduced:	SN2O4C23H30 (1)
Stoich.:	AB2C4D23E30 (1)
Weight, g/mol:	451.032431
ΔH_f, kcal/mol:	-147.45
Dipole, Da:	1.24
IP(EA), eV:	-9.44(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(4-fluorophenyl)-N,4-dimethyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2CS(=O)(=O)N3CCOCC3

DOS

IR

Vibrations