Geometry & MOs

Info

ID:

219545

PubChem CID:

85149166

Reduced:

O7H34C35 (1)

Stoich.:

A7B34C35 (1)

Weight, g/mol:

566.27405

ΔHf, kcal/mol:

-217.47

Dipole, Da:

2.67

IP(EA), eV:

 -8.83(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid

Drug info:

PubChemData

Smile

COC1=C2C(=O)CC(OC2=C(C(=C1)O)C3CC(OC(C3)C4=CC=C(C=C4)O)CCC5=CC=C(C=C5)O)C6=CC=CC=C6

DOS

IR

Vibrations