Geometry & MOs

Info

ID:	87400
PubChem CID:	49894487
Reduced:	FNSO3H20C25 (1)
Stoich.:	ABCD3E20F25 (1)
Weight, g/mol:	545.162057
ΔH_f, kcal/mol:	-87.07
Dipole, Da:	1.84
IP(EA), eV:	-9.28(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-[2-(2,5-dimethylanilino)-2-oxoethoxy]-3-methoxyphenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]-N-phenylacetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=CC(=CC=C3)OCC4=CC=C(C=C4)F)/SC2=O

DOS

IR

Vibrations