Geometry & MOs

Info

ID:

103657

PubChem CID:

50072124

Reduced:

O5N6C39H48 (1)

Stoich.:

A5B6C39D48 (1)

Weight, g/mol:

668.332233

ΔHf, kcal/mol:

-181.18

Dipole, Da:

10.26

IP(EA), eV:

 -8.61(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-methyl-5-(phenylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[1-[2-(morpholine-4-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC=CC=C2NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=CC=CC=C5)C

DOS

IR

Vibrations