Geometry & MOs

Info

ID:	86869
PubChem CID:	49889842
Reduced:	FSN2O7H19C26 (1)
Stoich.:	ABC2D7E19F26 (1)
Weight, g/mol:	445.099537
ΔH_f, kcal/mol:	-159.4
Dipole, Da:	6.37
IP(EA), eV:	-9.41(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[2-ethoxy-4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]acetate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=C(C=C3)F)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

DOS

IR

Vibrations