Geometry & MOs

Info

ID:

90390

PubChem CID:

49969345

Reduced:

N2O2C13H18 (3)

Stoich.:

A2B2C13D18 (3)

Weight, g/mol:

694.384269

ΔHf, kcal/mol:

-267.33

Dipole, Da:

14.52

IP(EA), eV:

 -8.46(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[4-methyl-3-[(3-methylbenzoyl)amino]anilino]-3-oxopropyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC(=C(C=C4)OC)NC(=O)C5CCCCC5

DOS

IR

Vibrations