Geometry & MOs

Info

ID:

186127

PubChem CID:

77393376

Reduced:

O3N5C33H37 (1)

Stoich.:

A3B5C33D37 (1)

Weight, g/mol:

780.395896

ΔHf, kcal/mol:

-71.68

Dipole, Da:

3.82

IP(EA), eV:

 -8.76(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[1-[2-[5-[7-[2-[2-[2-(methoxycarbonylamino)-3-methylbutanoyl]-2-azabicyclo[2.2.1]heptan-3-yl]-4,5-dihydro-1H-imidazol-5-yl]dibenzofuran-3-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1C(=O)NC2=NC=CC3=C2C=CC(=C3)C4=CC=C(C=C4)C5=CN=C(N5)C6CCCC6

DOS

IR

Vibrations