Geometry & MOs

Info

ID:	234515
PubChem CID:	92298594
Reduced:	ClSN3O4H12C20 (1)
Stoich.:	ABC3D4E12F20 (1)
Weight, g/mol:	391.062677
ΔH_f, kcal/mol:	35.0
Dipole, Da:	1.74
IP(EA), eV:	-9.25(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-2-anilino-5-[[5-(4-nitrophenyl)furan-2-yl]methylidene]-1,3-thiazol-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC2=NC(=O)/C(=C/C3=CC=C(O3)C4=CC(=C(C=C4)[N+](=O)[O-])Cl)/S2

DOS

IR

Vibrations