Geometry & MOs

Info

ID:

102160

PubChem CID:

50065441

Reduced:

ClFN5O5C31H33 (1)

Stoich.:

ABC5D5E31F33 (1)

Weight, g/mol:

587.290783

ΔHf, kcal/mol:

-210.16

Dipole, Da:

7.25

IP(EA), eV:

 -8.95(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations