Geometry & MOs

Info

ID:

181839

PubChem CID:

76801875

Reduced:

O3N4C21H27 (2)

Stoich.:

A3B4C21D27 (2)

Weight, g/mol:

802.420654

ΔHf, kcal/mol:

-177.83

Dipole, Da:

6.08

IP(EA), eV:

 -8.9(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 4-[methyl-[1-[5-[4-[4-[2-[1-(2-phenyl-2-piperidin-1-ylacetyl)pyrrolidin-2-yl]-3H-pyrrol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]ethyl]amino]-4-oxo-3-phenylbutanoate

Drug info:

PubChemData

Smile

CCCC(C(=O)N1CCCC1C2=NC=C(N2)C3=CC=C(C=C3)C4=CC=C(C=C4)C5=CN=C(C5)C6CCCN6C(=O)C(CCN(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations