Geometry & MOs

Info

ID:	86545
PubChem CID:	49886934
Reduced:	SN2O4H22C26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	419.082744
ΔH_f, kcal/mol:	-78.97
Dipole, Da:	3.75
IP(EA), eV:	-8.95(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[5-[(Z)-(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl]-3-methylbenzoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)COC2=CC=C(C=C2)/C=C\3/C(=O)N(C(=O)S3)CC4=CC=CC=C4

DOS

IR

Vibrations