Geometry & MOs

Info

ID:	219381
PubChem CID:	85148340
Reduced:	BrNSO3H16C24 (1)
Stoich.:	ABCD3E16F24 (1)
Weight, g/mol:	477.992784
ΔH_f, kcal/mol:	-17.66
Dipole, Da:	4.63
IP(EA), eV:	-9.48(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-4,4,7-trioxo-6-[(2,3,4,5,6-pentafluorophenyl)sulfonylamino]-4lambda6-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)CN3C(=O)C(=CC4=CC=C(C=C4)Br)SC3=O

DOS

IR

Vibrations