Geometry & MOs

Info

ID:

111344

PubChem CID:

50362728

Reduced:

O5N6C37H46 (1)

Stoich.:

A5B6C37D46 (1)

Weight, g/mol:

648.363533

ΔHf, kcal/mol:

-193.46

Dipole, Da:

7.73

IP(EA), eV:

 -8.67(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-3-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=CC(=C2)NC(=O)CNC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NCC(C)C)C

DOS

IR

Vibrations