Geometry & MOs

Info

ID:	166412
PubChem CID:	74685724
Reduced:	SO5N6C23H36 (1)
Stoich.:	AB5C6D23E36 (1)
Weight, g/mol:	367.039355
ΔH_f, kcal/mol:	-188.97
Dipole, Da:	15.57
IP(EA), eV:	-8.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-azaniumyl-2-phenylacetyl)amino]-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Drug info:

PubChemData

Smile

CC1CCN(C(C1)C(=O)[O-])C(=O)C(CCC[NH+]=C(N)N)NS(=O)(=O)C2=CC=CC3=C2NCC(C3)C

DOS

IR

Vibrations