Geometry & MOs

Info

ID:

90532

PubChem CID:

49970193

Reduced:

O5N6C39H52 (1)

Stoich.:

A5B6C39D52 (1)

Weight, g/mol:

728.349775

ΔHf, kcal/mol:

-206.45

Dipole, Da:

1.83

IP(EA), eV:

 -8.56(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(2,5-difluorophenyl)carbamoyl]phenyl]-1-[1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)N6CCCCC6

DOS

IR

Vibrations