Geometry & MOs

Info

ID:

105324

PubChem CID:

50106920

Reduced:

N6O6C31H40 (1)

Stoich.:

A6B6C31D40 (1)

Weight, g/mol:

594.16418

ΔHf, kcal/mol:

-230.23

Dipole, Da:

3.2

IP(EA), eV:

 -8.97(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-[2-[5-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)OC

DOS

IR

Vibrations