Geometry & MOs

Info

ID:	87328
PubChem CID:	49894058
Reduced:	ClFSN2O5H20C26 (1)
Stoich.:	ABCD2E5F20G26 (1)
Weight, g/mol:	515.151492
ΔH_f, kcal/mol:	-157.99
Dipole, Da:	5.49
IP(EA), eV:	-8.75(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1OCC2=C(C=CC=C2Cl)F)/C=C\3/C(=O)N(C(=O)S3)CC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations