Geometry & MOs

Info

ID:

94817

PubChem CID:

50004029

Reduced:

F2O3N4C27H34 (1)

Stoich.:

A2B3C4D27E34 (1)

Weight, g/mol:

615.322083

ΔHf, kcal/mol:

-208.61

Dipole, Da:

9.9

IP(EA), eV:

 -8.6(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=C(C=CC=C3F)F

DOS

IR

Vibrations