Geometry & MOs

Info

ID:

113867

PubChem CID:

50462078

Reduced:

FN5O5C33H38 (1)

Stoich.:

AB5C5D33E38 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-214.46

Dipole, Da:

4.06

IP(EA), eV:

 -8.28(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[1-(3-methylanilino)-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)OC)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations