Geometry & MOs

Info

ID:

117537

PubChem CID:

50606531

Reduced:

ClF2O4N5H32C35 (1)

Stoich.:

AB2C4D5E32F35 (1)

Weight, g/mol:

673.226739

ΔHf, kcal/mol:

-182.47

Dipole, Da:

8.68

IP(EA), eV:

 -8.95(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[4-fluoro-3-[[2-(4-fluorophenyl)acetyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NC5=CC(=C(C=C5)F)F)Cl

DOS

IR

Vibrations