Geometry & MOs

Info

ID:

110915

PubChem CID:

50344032

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

714.354111

ΔHf, kcal/mol:

-214.45

Dipole, Da:

5.72

IP(EA), eV:

 -8.36(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(4-fluorobenzoyl)amino]-3-methoxyanilino]-1-oxopropan-2-yl]-1-[2-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C5=CC=CC=C5)OC)C

DOS

IR

Vibrations