Geometry & MOs

Info

ID:

215446

PubChem CID:

85084745

Reduced:

N5O8C55H65 (1)

Stoich.:

A5B8C55D65 (1)

Weight, g/mol:

923.382238

ΔHf, kcal/mol:

-283.89

Dipole, Da:

7.0

IP(EA), eV:

 -9.01(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[(2-acetamido-3-sulfanylpropanoyl)amino]-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-amino-N-[1-[(1-amino-1-oxo-3-sulfanylpropan-2-yl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]hexanamide

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)N1CCCCC1C(=O)N2CCCCC2C(=O)N(C)C(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)OCC5=CC=CC=C5)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

DOS

IR

Vibrations