Geometry & MOs

Info

ID:

113819

PubChem CID:

50459527

Reduced:

ClF2O5N6C37H41 (1)

Stoich.:

AB2C5D6E37F41 (1)

Weight, g/mol:

639.265711

ΔHf, kcal/mol:

-271.01

Dipole, Da:

9.54

IP(EA), eV:

 -8.88(-0.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[4-[(2-fluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C(C)N2CCC(CC2)C(=O)NCCC(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC4)Cl)C(=O)NC5=C(C=CC=C5F)F

DOS

IR

Vibrations