Geometry & MOs

Info

ID:

112337

PubChem CID:

50403208

Reduced:

F3O5N6C42H43 (1)

Stoich.:

A3B5C6D42E43 (1)

Weight, g/mol:

651.279917

ΔHf, kcal/mol:

-269.86

Dipole, Da:

4.64

IP(EA), eV:

 -8.96(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-chloro-5-(trifluoromethyl)anilino]-3-methyl-1-oxobutan-2-yl]-1-[2-[3-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=CC=CC=C4C(=O)NCC5=CC=C(C=C5)F)C(=O)NC6=C(C=CC(=C6)F)F

DOS

IR

Vibrations