Geometry & MOs

Info

ID:	419875
PubChem CID:	135109512
Reduced:	N5O6C28H41 (1)
Stoich.:	A5B6C28D41 (1)
Weight, g/mol:	343.066757
ΔH_f, kcal/mol:	-258.13
Dipole, Da:	6.96
IP(EA), eV:	-9.41(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-3-[3-(trifluoromethyl)benzoyl]-3-azabicyclo[3.1.0]hexane-1,5-dicarboxylic acid

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](C(=O)N(CC(=O)N[C@H](C(=O)NCCCN1C(=O)[C@H]2CCCO2)CC3=CC=CC=C3)C)C(C)C

DOS

IR

Vibrations