Geometry & MOs

Info

ID:

219202

PubChem CID:

85091526

Reduced:

N2O4C21H23 (2)

Stoich.:

A2B4C21D23 (2)

Weight, g/mol:

743.374158

ΔHf, kcal/mol:

-224.9

Dipole, Da:

5.02

IP(EA), eV:

 -7.68(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-hydroxy-2-[[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoyl]amino]propanoate

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=NC(=CC4=C(C(=C(N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)OC)CCC(=O)OC)C)C6(C3=CC=C(C6C(=O)OC)C(=O)OC)C)C

DOS

IR

Vibrations