Geometry & MOs

Info

ID:	87342
PubChem CID:	49894194
Reduced:	ClNSO4H18C23 (1)
Stoich.:	ABCD4E18F23 (1)
Weight, g/mol:	528.171893
ΔH_f, kcal/mol:	-84.55
Dipole, Da:	0.88
IP(EA), eV:	-8.72(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(3-ethoxy-4-phenylmethoxy-5-prop-2-enylphenyl)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(O3)C4=CC(=C(C=C4)OC)Cl)/SC2=O

DOS

IR

Vibrations