Geometry & MOs

Info

ID:

16655

PubChem CID:

474435

Reduced:

F2N4O7C40H46 (1)

Stoich.:

A2B4C7D40E46 (1)

Weight, g/mol:

732.333456

ΔHf, kcal/mol:

-361.6

Dipole, Da:

2.1

IP(EA), eV:

 -8.81(-0.36)

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-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]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](CC2=CC(=CC(=C2)F)F)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35

DOS

IR

Vibrations