Geometry & MOs

Info

ID:	87092
PubChem CID:	49891960
Reduced:	FINSO5H17C25 (1)
Stoich.:	ABCDE5F17G25 (1)
Weight, g/mol:	540.092199
ΔH_f, kcal/mol:	-126.35
Dipole, Da:	3.12
IP(EA), eV:	-9.2(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-chloro-6-ethoxy-4-[(Z)-[3-[(2-fluorophenyl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl]phenoxy]-N-phenylacetamide

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)CC3=CC=CC=C3F)I)OC(=O)C4=CC=CC=C4

DOS

IR

Vibrations