Geometry & MOs

Info

ID:

97360

PubChem CID:

50030503

Reduced:

ClF2N4O4C29H29 (1)

Stoich.:

AB2C4D4E29F29 (1)

Weight, g/mol:

598.13911

ΔHf, kcal/mol:

-207.28

Dipole, Da:

11.8

IP(EA), eV:

 -8.83(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-bromo-3-methylphenyl)-1-[2-[5-[(2,5-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(=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=C(C=CC(=C4)Cl)OC

DOS

IR

Vibrations