Geometry & MOs

Info

ID:

221545

PubChem CID:

85279433

Reduced:

H3C10F13 (3)

Stoich.:

A3B10C13 (3)

Weight, g/mol:

1154.658712

ΔHf, kcal/mol:

-1880.53

Dipole, Da:

2.09

IP(EA), eV:

-10.31(-1.43)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[[2-[[1-[2-[[5-amino-2-[[2-[[2-[[1-[2-[(2-hydroxy-3-methylpentanoyl)amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]acetyl]-methylamino]-3-methylbutanoyl]-methylamino]-5-oxopentanoyl]amino]-3-methylpentanoyl]piperidine-2-carbonyl]amino]-3-methylbutanoyl]-methylamino]pentanedioic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C=CC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

DOS

IR

Vibrations