Geometry & MOs

Info

ID:

108336

PubChem CID:

50242034

Reduced:

FO4N5C38H46 (1)

Stoich.:

AB4C5D38E46 (1)

Weight, g/mol:

643.316998

ΔHf, kcal/mol:

-192.04

Dipole, Da:

15.15

IP(EA), eV:

 -8.84(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C(=CC=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)C

DOS

IR

Vibrations