Geometry & MOs

Info

ID:	87655
PubChem CID:	49896307
Reduced:	ClNSO3H16C22 (1)
Stoich.:	ABCD3E16F22 (1)
Weight, g/mol:	427.108959
ΔH_f, kcal/mol:	-45.22
Dipole, Da:	1.01
IP(EA), eV:	-9.03(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2C(=O)/C(=C/C3=CC=C(O3)C4=CC(=CC=C4)Cl)/SC2=O

DOS

IR

Vibrations