Geometry & MOs

Info

ID:

181750

PubChem CID:

76788811

Reduced:

ClN2O2F4C17H17 (1)

Stoich.:

AB2C2D4E17F17 (1)

Weight, g/mol:

891.424337

ΔHf, kcal/mol:

-277.15

Dipole, Da:

7.23

IP(EA), eV:

 -9.36(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[2-[2-[5-[3,5-difluoro-4-[4-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]piperidin-1-yl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

Drug info:

PubChemData

Smile

C1CC2C(CC1C(=O)CC3=C(C=CC(=C3)C(F)(F)F)F)C(=O)NNC2Cl

DOS

IR

Vibrations