Geometry & MOs

Info

ID:

167388

PubChem CID:

74818987

Reduced:

NO5H23C25 (1)

Stoich.:

AB5C23D25 (1)

Weight, g/mol:

1027.504855

ΔHf, kcal/mol:

-49.28

Dipole, Da:

4.49

IP(EA), eV:

 -8.24(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1OCC3=COC(=N3)C4=CC=CC=C4)OC=C(C2=O)C5=CC=C(C=C5)O

DOS

IR

Vibrations