Geometry & MOs

Info

ID:

114285

PubChem CID:

50477314

Reduced:

FO4N5C35H42 (1)

Stoich.:

AB4C5D35E42 (1)

Weight, g/mol:

558.300619

ΔHf, kcal/mol:

-190.84

Dipole, Da:

7.99

IP(EA), eV:

 -8.84(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-ethyl-6-methylphenyl)-1-[1-[3-[(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=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=C(C=C(C=C4)C(=O)NC(C)C)C)C)F

DOS

IR

Vibrations