Geometry & MOs

Info

ID:

91242

PubChem CID:

49974356

Reduced:

O5N6C40H54 (1)

Stoich.:

A5B6C40D54 (1)

Weight, g/mol:

700.431219

ΔHf, kcal/mol:

-219.82

Dipole, Da:

6.98

IP(EA), eV:

 -8.76(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(butan-2-ylcarbamoyl)-6-methylphenyl]-1-[1-[1-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carbonyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC=C5C(=O)N6CCCC6)C

DOS

IR

Vibrations