Geometry & MOs

Info

ID:

93855

PubChem CID:

49997282

Reduced:

SO4N6C28H38 (1)

Stoich.:

AB4C6D28E38 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-158.23

Dipole, Da:

8.01

IP(EA), eV:

 -8.88(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[4-chloro-2-(4-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=NC=CS4

DOS

IR

Vibrations