Geometry & MOs

Info

ID:

16636

PubChem CID:

474078

Reduced:

F2N5O8C43H51 (1)

Stoich.:

A2B5C8D43E51 (1)

Weight, g/mol:

803.37057

ΔHf, kcal/mol:

-425.3

Dipole, Da:

4.51

IP(EA), eV:

 -8.82(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-3-(3,5-difluorophenyl)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CC1=CC(=CC(=C1)F)F)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations