Geometry & MOs

Info

ID:

108819

PubChem CID:

50260275

Reduced:

F3O5N6C40H41 (1)

Stoich.:

A3B5C6D40E41 (1)

Weight, g/mol:

657.232967

ΔHf, kcal/mol:

-286.33

Dipole, Da:

10.83

IP(EA), eV:

 -8.8(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(=O)NC2=CC(=C(C=C2)F)NC(=O)C(C)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=C(C=C4)C(=O)NC5=CC(=C(C=C5)F)F)C

DOS

IR

Vibrations