Geometry & MOs

Info

ID:

90587

PubChem CID:

49970529

Reduced:

O5N6C42H58 (1)

Stoich.:

A5B6C42D58 (1)

Weight, g/mol:

686.415569

ΔHf, kcal/mol:

-238.77

Dipole, Da:

7.97

IP(EA), eV:

 -8.63(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-(butan-2-ylcarbamoyl)-2-methylphenyl]-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=C(C=C(C=C5)C(=O)NC6CCCCC6C)C

DOS

IR

Vibrations