Geometry & MOs

Info

ID:	305168
PubChem CID:	124766999
Reduced:	NO7C27H33 (1)
Stoich.:	AB7C27D33 (1)
Weight, g/mol:	527.97185
ΔH_f, kcal/mol:	-286.76
Dipole, Da:	4.3
IP(EA), eV:	-8.17(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1R,2S,6R,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-2-morpholin-4-ylbenzoic acid

Drug info:

PubChemData

Smile

C[C@H]1CC2=C([C@@H](C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC(=C(C=C4)OC)O)C(=O)[C@H]1C(=O)OC

DOS

IR

Vibrations