Geometry & MOs

Info

ID:	38287
PubChem CID:	8029203
Reduced:	N3O5C23H25 (1)
Stoich.:	A3B5C23D25 (1)
Weight, g/mol:	400.109293
ΔH_f, kcal/mol:	-97.76
Dipole, Da:	2.57
IP(EA), eV:	-8.79(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COCCN1CCCN2[C@H](C(=C(C2=O)O)C(=O)/C=C/C3=CC=CO3)C4=CC=CC=N4

DOS

IR

Vibrations