Geometry & MOs

Info

ID:	87347
PubChem CID:	49894221
Reduced:	FSN4O4H21C28 (1)
Stoich.:	ABC4D4E21F28 (1)
Weight, g/mol:	433.098394
ΔH_f, kcal/mol:	-97.23
Dipole, Da:	2.97
IP(EA), eV:	-8.98(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[5-[(Z)-[3-[(4-methylphenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]furan-2-yl]benzoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=O)CN2C(=O)/C(=C/C3=CN(C4=CC=CC=C43)CC(=O)NC5=CC=C(C=C5)F)/SC2=O

DOS

IR

Vibrations