Geometry & MOs

Info

ID:	189329
PubChem CID:	77841381
Reduced:	ON3C26H37 (1)
Stoich.:	AB3C26D37 (1)
Weight, g/mol:	312.077993
ΔH_f, kcal/mol:	-46.76
Dipole, Da:	4.86
IP(EA), eV:	-8.11(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(hydroxymethyl)-7-oxo-3-[(6-oxopiperidin-2-yl)methyl]-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC1(CCCN2C1C3=C(CC2)C4=CC=CC=C4N3)CCC(=O)NC5CCCCC5

DOS

IR

Vibrations