Geometry & MOs

Info

ID:

16769

PubChem CID:

476618

Reduced:

FN4O7C40H47 (1)

Stoich.:

AB4C7D40E47 (1)

Weight, g/mol:

714.342878

ΔHf, kcal/mol:

-318.0

Dipole, Da:

6.39

IP(EA), eV:

 -9.0(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-fluoro-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](C(C2=CC=CC=C2)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations