Geometry & MOs

Info

ID:

106834

PubChem CID:

50178516

Reduced:

NOC6H8 (6)

Stoich.:

ABC6D8 (6)

Weight, g/mol:

658.384269

ΔHf, kcal/mol:

-239.25

Dipole, Da:

3.19

IP(EA), eV:

 -9.22(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=CC(=C4)C(=O)N5CCOCC5)C

DOS

IR

Vibrations