Geometry & MOs

Info

ID:	243547
PubChem CID:	99226736
Reduced:	SN3O6C22H27 (1)
Stoich.:	AB3C6D22E27 (1)
Weight, g/mol:	388.008469
ΔH_f, kcal/mol:	-136.53
Dipole, Da:	6.4
IP(EA), eV:	-9.19(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-4-cyano-6-methoxyphenyl) 2-(2-fluorophenyl)-1,3-thiazole-5-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=C(C=CC(=C3)OC)[N+](=O)[O-]

DOS

IR

Vibrations