Geometry & MOs

Info

ID:	87645
PubChem CID:	49896244
Reduced:	ClNSO4H26C28 (1)
Stoich.:	ABCD4E26F28 (1)
Weight, g/mol:	383.082744
ΔH_f, kcal/mol:	-98.71
Dipole, Da:	5.76
IP(EA), eV:	-8.95(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(Z)-[3-[(3-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CCOC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)C)Cl)OCC4=CC=C(C=C4)C

DOS

IR

Vibrations