Geometry & MOs

Info

ID:

91581

PubChem CID:

49977016

Reduced:

ClN6O6C34H45 (1)

Stoich.:

AB6C6D34E45 (1)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-250.32

Dipole, Da:

14.7

IP(EA), eV:

 -8.9(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(morpholine-4-carbonyl)anilino]-2-oxoethyl]-N-[3-methyl-1-oxo-1-[3-(propan-2-ylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations