Geometry & MOs

Info

ID:

117169

PubChem CID:

50593853

Reduced:

ClN6O6C31H39 (1)

Stoich.:

AB6C6D31E39 (1)

Weight, g/mol:

583.219762

ΔHf, kcal/mol:

-233.97

Dipole, Da:

6.57

IP(EA), eV:

 -9.12(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-acetylanilino)-2-oxoethyl]-1-[2-[4-chloro-3-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)NC(=O)C1=CC(=CC=C1)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations