Geometry & MOs

Info

ID:

119771

PubChem CID:

50700417

Reduced:

ClFO4N5C36H41 (1)

Stoich.:

ABC4D5E36F41 (1)

Weight, g/mol:

661.283111

ΔHf, kcal/mol:

-182.42

Dipole, Da:

8.19

IP(EA), eV:

 -8.52(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-1-oxopropan-2-yl]-N-[4-fluoro-3-[(3-methylbenzoyl)amino]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)Cl)NC(=O)C(C)N3CCC(CC3)C(=O)NC4=CC(=C(C=C4)F)NC(=O)C5=CC=CC=C5C

DOS

IR

Vibrations