Geometry & MOs

Info

ID:

15311

PubChem CID:

437736

Reduced:

N3O3H20C21 (2)

Stoich.:

A3B3C20D21 (2)

Weight, g/mol:

724.300933

ΔHf, kcal/mol:

-130.34

Dipole, Da:

6.98

IP(EA), eV:

 -8.3(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-(1H-indol-2-yl)-2-[[3-(1H-indol-3-yl)-2-[[3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoyl]amino]propanoate

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC2=CC=CC=C2N1)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)OCC7=CC=CC=C7

DOS

IR

Vibrations