Geometry & MOs

Info

ID:

116919

PubChem CID:

50581129

Reduced:

ClF3O4N5C30H35 (1)

Stoich.:

AB3C4D5E30F35 (1)

Weight, g/mol:

655.193995

ΔHf, kcal/mol:

-328.15

Dipole, Da:

8.79

IP(EA), eV:

 -9.0(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclopentylcarbamoyl)anilino]-2-oxoethyl]-N-[1-[4-chloro-2-(trifluoromethyl)anilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NC4CCCC4

DOS

IR

Vibrations