Geometry & MOs

Info

ID:

114487

PubChem CID:

50484621

Reduced:

FN6O6C38H39 (1)

Stoich.:

AB6C6D38E39 (1)

Weight, g/mol:

630.296597

ΔHf, kcal/mol:

-217.39

Dipole, Da:

10.1

IP(EA), eV:

 -8.23(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[2-[4-(2-methylpropanoylamino)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NCC(=O)NC3=CC=C(C=C3)NC(=O)C4=CC=CC=C4OC)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations