Geometry & MOs

Info

ID:	168248
PubChem CID:	74940315
Reduced:	ClN3O6H21C27 (1)
Stoich.:	AB3C6D21E27 (1)
Weight, g/mol:	385.077752
ΔH_f, kcal/mol:	-131.95
Dipole, Da:	10.74
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.044676
Charge, e:	-1

Chem-info

IUPAC name:

2-(3-chloro-2-methylphenyl)imino-5-[(4-ethoxy-3-methylphenyl)methylidene]-1,3-thiazol-4-olate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OCC2=C(C=CC(=C2)C=C3C(=NC(=O)N(C3=O)C4=CC(=CC=C4)Cl)[O-])OC

DOS

IR

Vibrations