Geometry & MOs

Info

ID:	146800
PubChem CID:	53752853
Reduced:	NPSO3C6H12 (1)
Stoich.:	ABCD3E6F12 (1)
Weight, g/mol:	365.068156
ΔH_f, kcal/mol:	-191.97
Dipole, Da:	4.5
IP(EA), eV:	-9.46(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S)-7-[(2-cyanoacetyl)amino]-3-(3-ethoxy-3-oxoprop-1-enyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)NP(=O)(OCC=C)SC

DOS

IR

Vibrations