Geometry & MOs

Info

ID:	148984
PubChem CID:	53788655
Reduced:	BrFO4N5H21C24 (1)
Stoich.:	ABC4D5E21F24 (1)
Weight, g/mol:	290.037271
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	8.33
IP(EA), eV:	-9.37(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R)-3-(acetyloxymethyl)-7-amino-7-fluoro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)C1=C(C(=C(C=C1)F)[C@H]2C[C@H]2NC(=O)NC3=NC=C(C=C3)Br)OC(=O)C4=CN=C(C=C4)NC

DOS

IR

Vibrations