Geometry & MOs

Info

ID:

110778

PubChem CID:

50339778

Reduced:

N3O3C17H23 (2)

Stoich.:

A3B3C17D23 (2)

Weight, g/mol:

698.359197

ΔHf, kcal/mol:

-248.55

Dipole, Da:

7.68

IP(EA), eV:

 -8.16(-0.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(2-fluoro-4-methylphenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C(C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)N4CCCC4)OC

DOS

IR

Vibrations