Geometry & MOs

Info

ID:

106911

PubChem CID:

50181138

Reduced:

F2O4N5C35H39 (1)

Stoich.:

A2B4C5D35E39 (1)

Weight, g/mol:

627.322083

ΔHf, kcal/mol:

-217.28

Dipole, Da:

4.9

IP(EA), eV:

 -8.86(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[(5-fluoro-2-methylphenyl)carbamoyl]phenyl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=C(C=CC=C5F)F)C

DOS

IR

Vibrations