Geometry & MOs

Info

ID:

47203

PubChem CID:

10530625

Reduced:

N2O8C29H42 (1)

Stoich.:

A2B8C29D42 (1)

Weight, g/mol:

546.272987

ΔHf, kcal/mol:

-348.13

Dipole, Da:

6.23

IP(EA), eV:

 -9.09(-1.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl (2S)-4-[[(2S)-1-oxo-3-phenyl-1-phenylmethoxypropan-2-yl]amino]-2-(phenylmethoxycarbonylamino)butanoate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@]2([C@H]([C@]1(C)CC3=C(C(=O)C=C(C3=O)N[C@@H]([C@@H](C)O)C(=O)O)N[C@@H]([C@@H](C)O)C(=O)O)CCC=C2C)C

DOS

IR

Vibrations