Geometry & MOs

Info

ID:

118982

PubChem CID:

50666382

Reduced:

ClF2O4N5C32H34 (1)

Stoich.:

AB2C4D5E32F34 (1)

Weight, g/mol:

625.226739

ΔHf, kcal/mol:

-221.22

Dipole, Da:

6.29

IP(EA), eV:

 -9.18(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[3-[(2,6-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)CNC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC(=C3)C(=O)NC4=C(C=CC(=C4)F)F

DOS

IR

Vibrations