Geometry & MOs

Info

ID:

116816

PubChem CID:

50576691

Reduced:

ClO5N6C35H45 (1)

Stoich.:

AB5C6D35E45 (1)

Weight, g/mol:

678.329646

ΔHf, kcal/mol:

-205.0

Dipole, Da:

4.13

IP(EA), eV:

 -9.06(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[2-oxo-2-[3-(piperidine-1-carbonyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations