Geometry & MOs

Info

ID:

110926

PubChem CID:

50344134

Reduced:

FO3N4C28H35 (1)

Stoich.:

AB3C4D28E35 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-157.87

Dipole, Da:

3.76

IP(EA), eV:

 -8.89(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylphenyl]-1-[2-[2-methyl-3-(piperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2CCN(CC2)CC(=O)NC3=CC=CC(=C3C)C(=O)N4CCCCC4)F

DOS

IR

Vibrations