Geometry & MOs

Info

ID:

178833

PubChem CID:

76387245

Reduced:

O9C14H18 (1)

Stoich.:

A9B14C18 (1)

Weight, g/mol:

944.516011

ΔHf, kcal/mol:

-382.8

Dipole, Da:

2.81

IP(EA), eV:

 -9.76(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[2-[6-[1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]-5-[2-[1-[2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-1H-benzimidazol-2-yl]pyrrolidine-1-carbonyl]-4-methylpentanoate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(C(C(O1)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations