Geometry & MOs

Info

ID:

109551

PubChem CID:

50287732

Reduced:

FN6O6C32H35 (1)

Stoich.:

AB6C6D32E35 (1)

Weight, g/mol:

623.231075

ΔHf, kcal/mol:

-237.46

Dipole, Da:

6.1

IP(EA), eV:

 -9.11(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-(5-chloro-2-methoxyanilino)-3-oxopropyl]-1-[2-[4-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations