Geometry & MOs

Info

ID:	87080
PubChem CID:	49891694
Reduced:	FINSO4H19C21 (1)
Stoich.:	ABCDE4F19G21 (1)
Weight, g/mol:	404.063092
ΔH_f, kcal/mol:	-129.97
Dipole, Da:	2.21
IP(EA), eV:	-9.17(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1I)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)OC

DOS

IR

Vibrations