Geometry & MOs

Info

ID:

16779

PubChem CID:

476771

Reduced:

F2N4O7C40H46 (1)

Stoich.:

A2B4C7D40E46 (1)

Weight, g/mol:

732.333456

ΔHf, kcal/mol:

-362.06

Dipole, Da:

4.8

IP(EA), eV:

 -8.84(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3,3-difluoro-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)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations