Geometry & MOs

Info

ID:

111651

PubChem CID:

50376610

Reduced:

ClO5N6C33H43 (1)

Stoich.:

AB5C6D33E43 (1)

Weight, g/mol:

609.331505

ΔHf, kcal/mol:

-221.48

Dipole, Da:

6.22

IP(EA), eV:

 -8.81(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N)C(=O)NC4CCCCC4

DOS

IR

Vibrations