Geometry & MOs

Info

ID:

112846

PubChem CID:

50422451

Reduced:

O4N5C29H39 (1)

Stoich.:

A4B5C29D39 (1)

Weight, g/mol:

569.276883

ΔHf, kcal/mol:

-170.54

Dipole, Da:

5.34

IP(EA), eV:

 -8.79(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[4-chloro-2-(dimethylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C(=CC=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC=C3C(=O)N)C)C

DOS

IR

Vibrations