Geometry & MOs

Info

ID:	87288
PubChem CID:	49893735
Reduced:	NSI2O3H13C18 (1)
Stoich.:	ABC2D3E13F18 (1)
Weight, g/mol:	383.082744
ΔH_f, kcal/mol:	-33.16
Dipole, Da:	2.31
IP(EA), eV:	-9.4(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(C(=CC(=C3)I)I)O)/SC2=O

DOS

IR

Vibrations