Geometry & MOs

Info

ID:

423622

PubChem CID:

135119864

Reduced:

N6O6C29H40 (1)

Stoich.:

A6B6C29D40 (1)

Weight, g/mol:

389.183838

ΔHf, kcal/mol:

-224.06

Dipole, Da:

7.94

IP(EA), eV:

 -9.35(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5R)-3-[2-methyl-2-(5-methyl-2-propan-2-ylphenoxy)propanoyl]-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)C2=C(N=C(O2)C)C)CC3=CC=CC=C3)C)C(C)C

DOS

IR

Vibrations