Geometry & MOs

Info

ID:	151538
PubChem CID:	53837771
Reduced:	N4C7O10H12 (1)
Stoich.:	A4B7C10D12 (1)
Weight, g/mol:	336.089226
ΔH_f, kcal/mol:	-94.35
Dipole, Da:	1.44
IP(EA), eV:	-9.57(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1R)-1-hydroxyethyl] (5S)-3-[1-(1-methyltriazol-4-yl)prop-1-en-2-yl]-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

C(CCN=O)CC(C(CO[N+](=O)[O-])O[N+](=O)[O-])O[N+](=O)[O-]

DOS

IR

Vibrations