Geometry & MOs

Info

ID:

104091

PubChem CID:

50091497

Reduced:

Cl2F2O3N4H26C28 (1)

Stoich.:

A2B2C3D4E26F28 (1)

Weight, g/mol:

618.08449

ΔHf, kcal/mol:

-175.9

Dipole, Da:

10.82

IP(EA), eV:

 -8.96(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-3-chlorophenyl)-1-[2-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C(=CC=C4)Cl)Cl

DOS

IR

Vibrations