Geometry & MOs

Info

ID:	87384
PubChem CID:	49894384
Reduced:	NSO5H23C27 (1)
Stoich.:	ABC5D23E27 (1)
Weight, g/mol:	535.09687
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	4.67
IP(EA), eV:	-9.1(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[4-[2-(3-chloro-4-methylanilino)-2-oxoethoxy]phenyl]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(=C(C=C3)OC(=O)C4=CC=CC(=C4)C)OC)/SC2=O

DOS

IR

Vibrations