Geometry & MOs

Info

ID:	176782
PubChem CID:	76098660
Reduced:	ClPN2O5C9H20 (1)
Stoich.:	ABC2D5E9F20 (1)
Weight, g/mol:	185.014664
ΔH_f, kcal/mol:	-231.31
Dipole, Da:	10.28
IP(EA), eV:	-9.45(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-7-oxo-4-thia-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)[NH+](C(C)C)OP(=O)(O)OOCCC#N.[Cl-]

DOS

IR

Vibrations