Geometry & MOs

Info

ID:

115261

PubChem CID:

50515684

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

520.08768

ΔHf, kcal/mol:

-244.63

Dipole, Da:

7.55

IP(EA), eV:

 -8.65(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-1-[2-(3-carbamoyl-4-chloroanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=CC(=C1)NC(=O)C2CCCN2C(=O)C3CCN(CC3)C(C)C(=O)NC4=CC=CC(=C4C)C(=O)NC5=CC(=C(C=C5)C)F)Cl

DOS

IR

Vibrations