Geometry & MOs

Info

ID:

111162

PubChem CID:

50354991

Reduced:

F2O5N6C38H44 (1)

Stoich.:

A2B5C6D38E44 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-263.8

Dipole, Da:

3.79

IP(EA), eV:

 -8.82(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-[(2-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]-1-[1-[2-methyl-3-(3-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)C(=O)C2=C(C(=CC=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations