Geometry & MOs

Info

ID:

381834

PubChem CID:

134972679

Reduced:

NO4C27H33 (1)

Stoich.:

AB4C27D33 (1)

Weight, g/mol:

780.347809

ΔHf, kcal/mol:

-149.76

Dipole, Da:

2.58

IP(EA), eV:

 -9.39(0.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2E)-3,7-dimethylocta-2,6-dienyl] (2S)-3-[[(2S)-3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-3-oxo-2-(phenylmethoxycarbonylamino)propyl]disulfanyl]-2-(phenylmethoxycarbonylamino)propanoate

Drug info:

PubChemData

Smile

C[C@]12CCC(C1(C)C)C[C@H]2OC(=O)[C@H](CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4

DOS

IR

Vibrations