Geometry & MOs

Info

ID:	173625
PubChem CID:	75664071
Reduced:	ClSN3O4H13C19 (1)
Stoich.:	ABC3D4E13F19 (1)
Weight, g/mol:	445.02611
ΔH_f, kcal/mol:	18.25
Dipole, Da:	4.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867384
Charge, e:	-1

Chem-info

IUPAC name:

2-[5-[(2-chloro-5-nitrophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]-1-(3,5-dimethoxyphenyl)ethenolate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)C=C2N=C(C(=CC3=C(C=CC(=C3)[N+](=O)[O-])Cl)S2)[O-]

DOS

IR

Vibrations