Geometry & MOs

Info

ID:	86949
PubChem CID:	49890147
Reduced:	FINSO4H17C20 (1)
Stoich.:	ABCDE4F17G20 (1)
Weight, g/mol:	451.088972
ΔH_f, kcal/mol:	-126.67
Dipole, Da:	5.74
IP(EA), eV:	-8.73(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OC

DOS

IR

Vibrations