Geometry & MOs

Info

ID:

432586

PubChem CID:

135172720

Reduced:

N2O6C29H44 (1)

Stoich.:

A2B6C29D44 (1)

Weight, g/mol:

416.267508

ΔHf, kcal/mol:

-286.94

Dipole, Da:

3.6

IP(EA), eV:

 -9.29(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(2R,3R)-3-methoxy-2-methyl-3-[(1S,3S,5R,6S)-6-methyl-2-azabicyclo[3.1.0]hexan-3-yl]propanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]2[C@H]1N([C@@H](C2)[C@@H]([C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)OC(C)(C)C)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations