Geometry & MOs

Info

ID:	87372
PubChem CID:	49894335
Reduced:	NSO5H19C24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	452.140593
ΔH_f, kcal/mol:	-125.48
Dipole, Da:	6.05
IP(EA), eV:	-9.21(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5Z)-5-[(3-ethoxy-4-methoxy-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=C(C=C(C=C4)C(=O)O)C)/SC2=O

DOS

IR

Vibrations