Geometry & MOs

Info

ID:

118620

PubChem CID:

50649975

Reduced:

ClF2O4N5C34H38 (1)

Stoich.:

AB2C4D5E34F38 (1)

Weight, g/mol:

627.298761

ΔHf, kcal/mol:

-230.04

Dipole, Da:

10.08

IP(EA), eV:

 -8.84(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-1-oxopropan-2-yl]-N-[3-(cyclohexanecarbonylamino)-4-fluorophenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NC3=CC(=C(C=C3)F)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations