Geometry & MOs

Info

ID:

99449

PubChem CID:

50050801

Reduced:

Cl2F2O3N4H26C28 (1)

Stoich.:

A2B2C3D4E26F28 (1)

Weight, g/mol:

612.15476

ΔHf, kcal/mol:

-168.87

Dipole, Da:

7.74

IP(EA), eV:

 -8.98(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-2,6-dimethylphenyl)-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=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations