Geometry & MOs

Info

ID:

111844

PubChem CID:

50383648

Reduced:

ClO5N6C38H45 (1)

Stoich.:

AB5C6D38E45 (1)

Weight, g/mol:

714.446869

ΔHf, kcal/mol:

-186.85

Dipole, Da:

2.16

IP(EA), eV:

 -8.79(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[2-methyl-5-(3-methylpiperidine-1-carbonyl)anilino]-1-oxobutan-2-yl]-1-[2-[2-methyl-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=C(C(=CC=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)Cl)NC(=O)C5=CC=CC=C5)C

DOS

IR

Vibrations