Geometry & MOs

Info

ID:

113763

PubChem CID:

50457561

Reduced:

F3O5N6C41H41 (1)

Stoich.:

A3B5C6D41E41 (1)

Weight, g/mol:

675.223545

ΔHf, kcal/mol:

-270.84

Dipole, Da:

6.35

IP(EA), eV:

 -8.78(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]-1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)NC(=O)C3CCCN3C(=O)C4CCN(CC4)CC(=O)NC5=CC=CC(=C5C)C(=O)NC6=C(C=C(C=C6)F)F)F

DOS

IR

Vibrations