Geometry & MOs

Info

ID:

392551

PubChem CID:

135017136

Reduced:

BiC3Y3H6 (1)

Stoich.:

AB3C3D6 (1)

Weight, g/mol:

561.308387

ΔHf, kcal/mol:

-517.08

Dipole, Da:

5.17

IP(EA), eV:

-5.97(-1.92)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

tert-butyl (2S)-5-[[(2R)-3-tert-butylsulfanyl-1-[(2-ethoxy-2-oxoethyl)amino]-2-methyl-1-oxopropan-2-yl]amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

[CH2-][Bi]([CH2-])[CH2-].[Y].[Y].[Y]

DOS

IR

Vibrations