Geometry & MOs

Info

ID:	87970
PubChem CID:	49899174
Reduced:	ClSN2O2H21C27 (1)
Stoich.:	ABC2D2E21F27 (1)
Weight, g/mol:	463.108959
ΔH_f, kcal/mol:	3.07
Dipole, Da:	4.95
IP(EA), eV:	-8.7(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-ethoxy-6-[(Z)-[3-(naphthalen-2-ylmethyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=C(C=C2)Cl)C)/C=C\3/C(=O)N(C(=O)S3)CC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations