Geometry & MOs

Info

ID:

224501

PubChem CID:

85344032

Reduced:

O11C43H80 (1)

Stoich.:

A11B43C80 (1)

Weight, g/mol:

773.411212

ΔHf, kcal/mol:

-582.3

Dipole, Da:

5.44

IP(EA), eV:

 -9.48(-0.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 2-[[2-methyl-2-[[2-[[1-[3-(3-methylimidazol-4-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoyl]amino]propanoyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC(C1CCC(O1)C(CCCCC(CCCCCC(CC2=CC(OC2=O)C)OCOC)OCOC)OCOC)OCOC

DOS

IR

Vibrations