Geometry & MOs

Info

ID:

390870

PubChem CID:

135001376

Reduced:

O2C15H20 (1)

Stoich.:

A2B15C20 (1)

Weight, g/mol:

893.505112

ΔHf, kcal/mol:

-65.54

Dipole, Da:

1.78

IP(EA), eV:

 -9.06(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-[[4-[(2S,5S)-1-(4-tert-butylphenyl)-5-[4-[[1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]pyrrolidin-2-yl]phenyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)[C@H]1[C@@H](C=COCO1)C2=CC=CC=C2

DOS

IR

Vibrations