Geometry & MOs

Info

ID:

100479

PubChem CID:

50061737

Reduced:

FO4N5C39H42 (1)

Stoich.:

AB4C5D39E42 (1)

Weight, g/mol:

649.306433

ΔHf, kcal/mol:

-164.69

Dipole, Da:

11.99

IP(EA), eV:

 -8.43(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-benzamido-3-methylphenyl)-1-[1-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)NC2=C(C=C(C=C2)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)NC5=C(C=CC(=C5)F)C)C)C

DOS

IR

Vibrations