Geometry & MOs

Info

ID:

96035

PubChem CID:

50018553

Reduced:

FO5N6C44H51 (1)

Stoich.:

AB5C6D44E51 (1)

Weight, g/mol:

629.301348

ΔHf, kcal/mol:

-215.95

Dipole, Da:

8.4

IP(EA), eV:

 -8.61(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C(C)C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NCC5=CC=C(C=C5)F)C

DOS

IR

Vibrations