Geometry & MOs

Info

ID:	180089
PubChem CID:	76575142
Reduced:	NO6C21H33 (1)
Stoich.:	AB6C21D33 (1)
Weight, g/mol:	340.084141
ΔH_f, kcal/mol:	-279.79
Dipole, Da:	4.67
IP(EA), eV:	-8.9(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4,4,7-trioxo-3-[(3-prop-2-enyltriazol-1-ium-1-yl)methyl]-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)CCCCCCC1C(CC(C1CCC(C(=O)NC2=CC=CO2)O)O)O

DOS

IR

Vibrations