Geometry & MOs

Info

ID:

100676

PubChem CID:

50063543

Reduced:

FN6O6C33H37 (1)

Stoich.:

AB6C6D33E37 (1)

Weight, g/mol:

674.322811

ΔHf, kcal/mol:

-242.3

Dipole, Da:

8.11

IP(EA), eV:

 -8.83(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-(diethylcarbamoyl)-2-methoxyanilino]-2-oxoethyl]-1-[2-[5-[(3-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)NC)OC

DOS

IR

Vibrations