Geometry & MOs

Info

ID:

112374

PubChem CID:

50404616

Reduced:

O5N6C34H46 (1)

Stoich.:

A5B6C34D46 (1)

Weight, g/mol:

578.321668

ΔHf, kcal/mol:

-217.1

Dipole, Da:

7.38

IP(EA), eV:

 -8.77(-0.28)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-3-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[2-methyl-3-(propylcarbamoyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)NC(=O)C3CCN(CC3)CC(=O)NC4=CC=CC(=C4C)C(=O)NC)C

DOS

IR

Vibrations