Geometry & MOs

Info

ID:

215467

PubChem CID:

85084778

Reduced:

O20C45H72 (1)

Stoich.:

A20B45C72 (1)

Weight, g/mol:

932.496916

ΔHf, kcal/mol:

-948.67

Dipole, Da:

3.66

IP(EA), eV:

 -9.99(0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl 5-[[6-(2-adamantyloxycarbonylamino)-1-[[3-[(4-methylphenyl)methylsulfanyl]-1-oxo-1-phenylmethoxypropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxopentanoate

Drug info:

PubChemData

Smile

CC1C2C(CC3C2(C(=O)CC4C3CCC5C4(CCC(C5)OC6C(C(C(C(O6)CO)O)O)OC7C(C(C(C(O7)CO)O)O)O)C)C)OC1(CCC(=C)COC8C(C(C(C(O8)CO)O)O)O)O

DOS

IR

Vibrations