Geometry & MOs

Info

ID:

104119

PubChem CID:

50091760

Reduced:

FN3O3C21H22 (2)

Stoich.:

AB3C3D21E22 (2)

Weight, g/mol:

544.284969

ΔHf, kcal/mol:

-268.4

Dipole, Da:

12.01

IP(EA), eV:

 -8.07(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-1-[1-[5-[(2-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C2=CC(=C(C=C2)C)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=C(C=C6)F)OC)F

DOS

IR

Vibrations