Geometry & MOs

Info

ID:	66142
PubChem CID:	46499960
Reduced:	ClNOC13H15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	446.088261
ΔH_f, kcal/mol:	56.06
Dipole, Da:	13.28
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.064305
Charge, e:	0

Chem-info

IUPAC name:

N-[(Z)-1-(4-fluorophenyl)ethylideneamino]-4-methyl-2-[(4-methylphenyl)sulfonylamino]-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

C[N+](C)(CC#C)CC(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations