Geometry & MOs

Info

ID:

187267

PubChem CID:

77553011

Reduced:

N2O4C17H24 (1)

Stoich.:

A2B4C17D24 (1)

Weight, g/mol:

848.433344

ΔHf, kcal/mol:

-149.79

Dipole, Da:

8.09

IP(EA), eV:

 -9.32(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[2-[6-[5-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]-1-(6-methoxypyridin-3-yl)pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamic acid

Drug info:

PubChemData

Smile

COC1CC2C(C(C1OC)OC)C(NC(=O)N2)C3=CC=CC=C3

DOS

IR

Vibrations