Geometry & MOs

Info

ID:	60992
PubChem CID:	26703958
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	468.135508
ΔH_f, kcal/mol:	-95.54
Dipole, Da:	4.91
IP(EA), eV:	-9.62(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-[2-[(5Z)-5-[(4-ethoxy-3-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](CNC(=O)C1=CC(=C(C=C1)C)S(=O)(=O)N)C2=CC=CC=C2

DOS

IR

Vibrations