Geometry & MOs

Info

ID:

177007

PubChem CID:

76124317

Reduced:

OC3H4 (6)

Stoich.:

AB3C4 (6)

Weight, g/mol:

856.483374

ΔHf, kcal/mol:

-231.49

Dipole, Da:

3.28

IP(EA), eV:

 -9.81(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-tert-butyl-4-[[3-[(2-methylpropan-2-yl)oxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-2-[[3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoyl]amino]propanoyl]amino]-5-oxo-5-phenoxypentanoic acid

Drug info:

PubChemData

Smile

CC12C(OC(OC1(C3(C(O2)(OCO3)C)C)C)C4=CC=CC=C4)CO

DOS

IR

Vibrations