Geometry & MOs

Info

ID:	127749
PubChem CID:	51013725
Reduced:	NSO3C16H21 (1)
Stoich.:	ABC3D16E21 (1)
Weight, g/mol:	298.152872
ΔH_f, kcal/mol:	-124.62
Dipole, Da:	0.89
IP(EA), eV:	-8.44(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (1R,5S)-5-hydroxy-4-methyl-6,7-diazabicyclo[3.2.2]non-2-ene-6,7-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)N1[C@@H]2C[C@H](C[C@H]1[C@H](C2)SC3=CC=CC=C3)O

DOS

IR

Vibrations