Geometry & MOs

Info

ID:	190660
PubChem CID:	78036637
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	405.178752
ΔH_f, kcal/mol:	-144.88
Dipole, Da:	8.49
IP(EA), eV:	-8.71(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[1-(6-carboxyhex-2-enyl)-6-oxopiperidin-2-yl]-2-hydroxybut-3-enyl]furan-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC1CS(=O)C2=CC=C(C=C2)C(=O)O

DOS

IR

Vibrations