Geometry & MOs

Info

ID:

113167

PubChem CID:

50433254

Reduced:

FO4N5C34H40 (1)

Stoich.:

AB4C5D34E40 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-181.0

Dipole, Da:

5.27

IP(EA), eV:

 -8.8(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-chloro-2-(dimethylcarbamoyl)phenyl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=C(C(=CC=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC(=C(C=C4)C)F)C

DOS

IR

Vibrations