Geometry & MOs

Info

ID:

117531

PubChem CID:

50606342

Reduced:

ClFO5N6C32H34 (1)

Stoich.:

ABC5D6E32F34 (1)

Weight, g/mol:

673.226739

ΔHf, kcal/mol:

-219.28

Dipole, Da:

9.32

IP(EA), eV:

 -9.16(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-[(2-methylphenyl)carbamoyl]anilino]-2-oxoethyl]-N-[2-fluoro-5-[[2-(4-fluorophenyl)acetyl]amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C(=O)NC2=CC=C(C=C2)F)NC(=O)CCNC(=O)C3CCN(CC3)CC(=O)NC4=C(C=CC(=C4)C(=O)N)Cl

DOS

IR

Vibrations