Geometry & MOs

Info

ID:	194803
PubChem CID:	78591295
Reduced:	NO2F3H17C23 (1)
Stoich.:	AB2C3D17E23 (1)
Weight, g/mol:	388.064841
ΔH_f, kcal/mol:	-111.4
Dipole, Da:	6.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.923627
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-N-methylanilino)-5-[(2,3-dimethoxyphenyl)methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

CC1CC(=CC2=CC(=CC=C2)C(F)(F)F)C3=NC4=CC=CC=C4C(=C3C1)C(=O)[O-]

DOS

IR

Vibrations