Geometry & MOs

Info

ID:

112513

PubChem CID:

50409783

Reduced:

FO4N5C37H46 (1)

Stoich.:

AB4C5D37E46 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-202.39

Dipole, Da:

6.52

IP(EA), eV:

 -8.46(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-[(4-fluorophenyl)methylcarbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-oxo-1-[3-(propan-2-ylcarbamoyl)anilino]butan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=CC=CC(=C3C)C(=O)NCC4=CC=C(C=C4)F)C

DOS

IR

Vibrations