Geometry & MOs

Info

ID:	416544
PubChem CID:	135089610
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	329.022163
ΔH_f, kcal/mol:	-32.75
Dipole, Da:	3.96
IP(EA), eV:	-9.36(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[(3,4-dichlorophenyl)methyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C1CC(OC1)CN(CC2=CC=CC=N2)CC(=O)NCC3=CC=CS3

DOS

IR

Vibrations