Geometry & MOs

Info

ID:

120429

PubChem CID:

50726769

Reduced:

ClN6O6C39H41 (1)

Stoich.:

AB6C6D39E41 (1)

Weight, g/mol:

654.293261

ΔHf, kcal/mol:

-181.29

Dipole, Da:

10.14

IP(EA), eV:

 -8.64(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-chloroanilino]-1-oxopropan-2-yl]-N-[2-[4-(morpholine-4-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)Cl)NC(=O)CN3CCC(CC3)C(=O)NCCC(=O)NC4=CC=C(C=C4)NC(=O)C5=CC(=CC=C5)OC

DOS

IR

Vibrations