Geometry & MOs

Info

ID:

82434

PubChem CID:

49856026

Reduced:

N2O2C19H20 (1)

Stoich.:

A2B2C19D20 (1)

Weight, g/mol:

851.32953

ΔHf, kcal/mol:

11.59

Dipole, Da:

4.88

IP(EA), eV:

 -9.14(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[(2-naphthalen-2-ylacetyl)amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(4-phosphonooxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=C(C=C2)C(=O)NO)C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations