Geometry & MOs

Info

ID:

100031

PubChem CID:

50057676

Reduced:

F3N6O6C42H43 (1)

Stoich.:

A3B6C6D42E43 (1)

Weight, g/mol:

611.211089

ΔHf, kcal/mol:

-311.09

Dipole, Da:

12.29

IP(EA), eV:

 -8.8(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-chloroanilino)-1-oxopropan-2-yl]-1-[2-[5-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC(=C(C=C5)F)NC(=O)C6=CC=C(C=C6)OC

DOS

IR

Vibrations