Geometry & MOs

Info

ID:

112056

PubChem CID:

50393239

Reduced:

F3O4N5C32H40 (1)

Stoich.:

A3B4C5D32E40 (1)

Weight, g/mol:

649.264267

ΔHf, kcal/mol:

-330.51

Dipole, Da:

4.66

IP(EA), eV:

 -8.88(-0.81)

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-(cyclohexylcarbamoyl)-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC=C(C=C3)C(F)(F)F)C(=O)NC4CCCCC4

DOS

IR

Vibrations