Geometry & MOs

Info

ID:	418903
PubChem CID:	135107097
Reduced:	NO3C19H27 (1)
Stoich.:	AB3C19D27 (1)
Weight, g/mol:	331.141973
ΔH_f, kcal/mol:	-113.16
Dipole, Da:	4.7
IP(EA), eV:	-9.47(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-3-[2-(4-propan-2-ylphenyl)acetyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@@H](CC[C@@H]1O)C(=O)N(CC2CC2)CC3=CC=CC=C3

DOS

IR

Vibrations