Geometry & MOs

Info

ID:	189432
PubChem CID:	77854595
Reduced:	N2O7C25H32 (1)
Stoich.:	A2B7C25D32 (1)
Weight, g/mol:	290.95648
ΔH_f, kcal/mol:	-219.59
Dipole, Da:	26.51
IP(EA), eV:	-7.8(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethenyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;hydrobromide

Drug info:

PubChemData

Smile

CC(C)[N+]1(CC2(CC3C(=CC(CN3C)C(=O)[O-])C4=C2C1=CC=C4)OC)C.C(=CC(=O)O)C(=O)O

DOS

IR

Vibrations