Geometry & MOs

Info

ID:

114493

PubChem CID:

50484810

Reduced:

FO5N6C39H41 (1)

Stoich.:

AB5C6D39E41 (1)

Weight, g/mol:

678.273274

ΔHf, kcal/mol:

-186.9

Dipole, Da:

7.22

IP(EA), eV:

 -8.94(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=CC(=C3C)C(=O)NC4=CC=CC=C4)C(=O)NC5=CC(=CC=C5)F

DOS

IR

Vibrations