Geometry & MOs

Info

ID:

111192

PubChem CID:

50356250

Reduced:

FO5N6C39H47 (1)

Stoich.:

AB5C6D39E47 (1)

Weight, g/mol:

672.399919

ΔHf, kcal/mol:

-227.76

Dipole, Da:

8.44

IP(EA), eV:

 -8.8(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-(cyclopentylcarbamoyl)anilino]-3-oxopropyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)NC5=CC=C(C=C5)F)C

DOS

IR

Vibrations