Geometry & MOs

Info

ID:

120624

PubChem CID:

50737762

Reduced:

ClO5N6C32H41 (1)

Stoich.:

AB5C6D32E41 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-219.64

Dipole, Da:

1.35

IP(EA), eV:

 -8.52(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoyl-2-methylanilino)-2-oxoethyl]-1-[1-oxo-1-[2-(propylcarbamoyl)anilino]propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=CC=CC=C2NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=C(C=C4)NC(=O)C)Cl

DOS

IR

Vibrations