Geometry & MOs

Info

ID:	419492
PubChem CID:	135108275
Reduced:	OSN6C14H18 (1)
Stoich.:	ABC6D14E18 (1)
Weight, g/mol:	323.080515
ΔH_f, kcal/mol:	32.49
Dipole, Da:	1.78
IP(EA), eV:	-8.93(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[2-(3-fluorophenoxy)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2=C(N=CC=C2)NCCC3=NN=C(S3)N

DOS

IR

Vibrations