Geometry & MOs

Info

ID:

115719

PubChem CID:

50531954

Reduced:

ClFO4N5C35H39 (1)

Stoich.:

ABC4D5E35F39 (1)

Weight, g/mol:

651.242389

ΔHf, kcal/mol:

-175.43

Dipole, Da:

8.45

IP(EA), eV:

 -8.99(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[(2,5-difluorophenyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=CC=C4C(=O)NCC5=CC=C(C=C5)F)Cl

DOS

IR

Vibrations