Geometry & MOs

Info

ID:

118740

PubChem CID:

50657011

Reduced:

ClN5O5C34H40 (1)

Stoich.:

AB5C5D34E40 (1)

Weight, g/mol:

710.319476

ΔHf, kcal/mol:

-176.88

Dipole, Da:

6.35

IP(EA), eV:

 -8.63(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[3-[2-methoxy-5-(morpholine-4-carbonyl)anilino]-3-oxopropyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)C)NC(=O)C4=CC(=CC=C4)OC

DOS

IR

Vibrations