Geometry & MOs

Info

ID:	86695
PubChem CID:	49888525
Reduced:	ClSN2O2H21C30 (1)
Stoich.:	ABC2D2E21F30 (1)
Weight, g/mol:	373.017557
ΔH_f, kcal/mol:	33.67
Dipole, Da:	7.67
IP(EA), eV:	-8.64(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(Z)-[3-[(4-chlorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]benzoic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CN3C=C(C4=CC=CC=C43)/C=C\5/C(=O)N(C(=O)S5)CC6=CC=C(C=C6)Cl

DOS

IR

Vibrations