Geometry & MOs

Info

ID:

107714

PubChem CID:

50216105

Reduced:

FN6O6C38H47 (1)

Stoich.:

AB6C6D38E47 (1)

Weight, g/mol:

583.292532

ΔHf, kcal/mol:

-271.39

Dipole, Da:

3.62

IP(EA), eV:

 -8.62(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C4=CC=CC=C4OC)C

DOS

IR

Vibrations