Geometry & MOs

Info

ID:	336389
PubChem CID:	127255396
Reduced:	ClO2N3H18C23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	369.068068
ΔH_f, kcal/mol:	56.38
Dipole, Da:	4.02
IP(EA), eV:	-9.01(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7R)-7-amino-3-[(1-methylpyrrolidin-1-ium-1-yl)methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;chloride;hydrochloride

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C\2=NC3=CC=CC=C3/C2=C/NNC(=O)COC4=CC=CC=C4Cl

DOS

IR

Vibrations