Geometry & MOs

Info

ID:

108523

PubChem CID:

50248521

Reduced:

ClF2O4N5C30H30 (1)

Stoich.:

AB2C4D5E30F30 (1)

Weight, g/mol:

639.242389

ΔHf, kcal/mol:

-206.56

Dipole, Da:

8.15

IP(EA), eV:

 -9.0(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-chloro-3-(diethylcarbamoyl)phenyl]-1-[2-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)C(=O)NC

DOS

IR

Vibrations