Geometry & MOs

Info

ID:

309536

PubChem CID:

126547250

Reduced:

FN3O3H16C17 (1)

Stoich.:

AB3C3D16E17 (1)

Weight, g/mol:

862.437761

ΔHf, kcal/mol:

-95.4

Dipole, Da:

4.28

IP(EA), eV:

 -8.89(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(1S)-2-[(2S,5S)-2-[5-[4-[4-[2-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-2-(oxan-4-yl)acetyl]-5-methylpyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidin-1-yl]-1-(2-oxaspiro[3.3]heptan-6-yl)-2-oxoethyl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC2=C(N(N=CC2)C)N(C1=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations