Geometry & MOs

Info

ID:

185487

PubChem CID:

77303042

Reduced:

NSSiF3O5C25H38 (1)

Stoich.:

ABCD3E5F25G38 (1)

Weight, g/mol:

819.431947

ΔHf, kcal/mol:

-388.35

Dipole, Da:

8.31

IP(EA), eV:

 -7.36(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[2-[4-[[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]phenyl]-1-phenylethyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)C(C)(C)C(C)(C1CC(CN1C(=O)OC(C)(C)C)S(=O)(=O)C2=CC=CC=C2C(F)(F)F)O[Si]C

DOS

IR

Vibrations