Geometry & MOs

Info

ID:

181751

PubChem CID:

76789017

Reduced:

F2O6N9C48H55 (1)

Stoich.:

A2B6C9D48E55 (1)

Weight, g/mol:

852.432282

ΔHf, kcal/mol:

-253.74

Dipole, Da:

4.24

IP(EA), eV:

 -8.78(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[4-[4-[2-[1-[2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]-1-bicyclo[2.2.2]octanyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(C1=CC=CC=C1)C(=O)N2CCCC2C3=NC=C(N3)C4=CC(=C(C(=C4)F)N5CCC(CC5)C6=CN=C(N6)C7CCCN7C(=O)C(C8=CC=CC=C8)NC(=O)OC)F

DOS

IR

Vibrations