Geometry & MOs

Info

ID:	124125
PubChem CID:	50872820
Reduced:	NCl2O2S2H21C23 (1)
Stoich.:	AB2C2D2E21F23 (1)
Weight, g/mol:	424.028456
ΔH_f, kcal/mol:	-26.24
Dipole, Da:	3.4
IP(EA), eV:	-8.87(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[5-[(E)-[2-(2-chloroanilino)-4-oxo-1,3-thiazol-5-ylidene]methyl]furan-2-yl]benzoic acid

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)/C(=C\C3=CC=C(C=C3)OCC4=C(C=C(C=C4)Cl)Cl)/SC2=S

DOS

IR

Vibrations