Geometry & MOs

Info

ID:	38281
PubChem CID:	8029014
Reduced:	SN3O4H13C20 (1)
Stoich.:	AB3C4D13E20 (1)
Weight, g/mol:	404.104208
ΔH_f, kcal/mol:	-19.47
Dipole, Da:	6.55
IP(EA), eV:	-9.27(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-[2-[(5Z)-5-[(2-methoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetyl]piperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C3=C(O2)C(=O)N([C@@H]3C4=CC=NC=C4)C5=NC=CS5

DOS

IR

Vibrations