Geometry & MOs

Info

ID:

93438

PubChem CID:

49994925

Reduced:

FO4N5C33H44 (1)

Stoich.:

AB4C5D33E44 (1)

Weight, g/mol:

663.279917

ΔHf, kcal/mol:

-216.05

Dipole, Da:

4.72

IP(EA), eV:

 -8.99(-0.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl]-1-[1-[2-methyl-5-[(2-methylcyclohexyl)carbamoyl]anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCC1NC(=O)C2=CC(=C(C=C2)C)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NCC4=CC=C(C=C4)F

DOS

IR

Vibrations