Geometry & MOs

Info

ID:

231340

PubChem CID:

87573505

Reduced:

ON5F8C27H29 (1)

Stoich.:

AB5C8D27E29 (1)

Weight, g/mol:

1073.59499

ΔHf, kcal/mol:

-359.81

Dipole, Da:

5.23

IP(EA), eV:

 -9.24(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S)-2-[5-[4-[(2S,3R,4R,5S)-1-(4-tert-butylphenyl)-5-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-3,4-bis(2-methoxyethoxy)pyrrolidin-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

CN1N=C(N=N1)N(CC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)CC3=C(C=CC(=C3)C(F)F)C4(CCCCCC4)OC

DOS

IR

Vibrations