Geometry & MOs

Info

ID:	86663
PubChem CID:	49888343
Reduced:	ClNSO2H14C21 (1)
Stoich.:	ABCD2E14F21 (1)
Weight, g/mol:	373.017557
ΔH_f, kcal/mol:	-8.95
Dipole, Da:	3.49
IP(EA), eV:	-9.23(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(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=C2/C=C\3/C(=O)N(C(=O)S3)CC4=CC=C(C=C4)Cl

DOS

IR

Vibrations