Geometry & MOs

Info

ID:	87364
PubChem CID:	49894299
Reduced:	NSO5H21C26 (1)
Stoich.:	ABC5D21E26 (1)
Weight, g/mol:	535.09687
ΔH_f, kcal/mol:	-111.29
Dipole, Da:	2.76
IP(EA), eV:	-9.13(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[[3-chloro-4-[2-(3-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)OC)/SC2=O

DOS

IR

Vibrations