Geometry & MOs

Info

ID:	217893
PubChem CID:	85088543
Reduced:	SN5O6C16H19 (1)
Stoich.:	AB5C6D16E19 (1)
Weight, g/mol:	409.11077
ΔH_f, kcal/mol:	-178.61
Dipole, Da:	8.28
IP(EA), eV:	-9.29(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[1-(2-amino-2-oxoethyl)pyridin-1-ium-4-yl]sulfanylmethyl]-4-(fluoromethyl)-6-(1-hydroxyethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)N2C=CC(=NC2=O)N3C=NC=N3)SC)OC(=O)C

DOS

IR

Vibrations