Geometry & MOs

Info

ID:

233442

PubChem CID:

90944503

Reduced:

NS2O6H17C18 (1)

Stoich.:

AB2C6D17E18 (1)

Weight, g/mol:

850.3601

ΔHf, kcal/mol:

-64.53

Dipole, Da:

4.88

IP(EA), eV:

 -8.35(-1.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[4,4,4-trifluoro-1-oxo-1-[2-[5-[4-[4-[2-[1-[4,4,4-trifluoro-2-(methoxycarbonylamino)butanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1-bicyclo[2.2.2]octanyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SOC2=CC(=CC3=C2C=CC(=C3C)N)S(=O)(=O)O.O=O

DOS

IR

Vibrations