Geometry & MOs

Info

ID:

103192

PubChem CID:

50070516

Reduced:

O5N6C44H50 (1)

Stoich.:

A5B6C44D50 (1)

Weight, g/mol:

613.306433

ΔHf, kcal/mol:

-161.57

Dipole, Da:

3.23

IP(EA), eV:

 -8.15(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-(4-methylpiperidine-1-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2C)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)NC(=O)C6=CC=CC=C6C)C

DOS

IR

Vibrations