Geometry & MOs

Info

ID:

90527

PubChem CID:

49970176

Reduced:

N6O6C41H50 (1)

Stoich.:

A6B6C41D50 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-207.27

Dipole, Da:

10.26

IP(EA), eV:

 -8.1(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]-N-[2-methyl-3-(2-methylpropylcarbamoyl)phenyl]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(=C(C=C5)NC(=O)C6=CC=CC=C6)OC

DOS

IR

Vibrations