Geometry & MOs

Info

ID:

101759

PubChem CID:

50065031

Reduced:

FO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

603.285698

ΔHf, kcal/mol:

-178.22

Dipole, Da:

9.61

IP(EA), eV:

 -8.91(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]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)NC(C)C(=O)NC(C)C4=CC=CC=C4

DOS

IR

Vibrations