Geometry & MOs

Info

ID:

120491

PubChem CID:

50730144

Reduced:

ClO4N5C32H44 (1)

Stoich.:

AB4C5D32E44 (1)

Weight, g/mol:

599.287447

ΔHf, kcal/mol:

-192.99

Dipole, Da:

4.28

IP(EA), eV:

 -9.05(-0.52)

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-methoxy-5-(propan-2-ylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations