Geometry & MOs

Info

ID:	414653
PubChem CID:	135087612
Reduced:	O2N3C18H21 (1)
Stoich.:	A2B3C18D21 (1)
Weight, g/mol:	310.091334
ΔH_f, kcal/mol:	-20.0
Dipole, Da:	5.75
IP(EA), eV:	-8.87(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[[3-(methylcarbamoyl)-1,2,4-oxadiazol-5-yl]methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=NC=CC4=CC=CC=C43

DOS

IR

Vibrations