Geometry & MOs

Info

ID:	305178
PubChem CID:	124767378
Reduced:	NO3C6H8 (2)
Stoich.:	AB3C6D8 (2)
Weight, g/mol:	404.137222
ΔH_f, kcal/mol:	-176.87
Dipole, Da:	8.4
IP(EA), eV:	-9.6(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[3-[(1S,2R,6R,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]benzoyl]amino]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])N[C@H]2[C@H]([C@H]([C@H](O2)CO)O)O

DOS

IR

Vibrations