Geometry & MOs

Info

ID:

119399

PubChem CID:

50682995

Reduced:

ClFO5N6C38H44 (1)

Stoich.:

ABC5D6E38F44 (1)

Weight, g/mol:

553.245582

ΔHf, kcal/mol:

-222.14

Dipole, Da:

12.79

IP(EA), eV:

 -8.84(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C(=O)NC1=CC=CC(=C1)C(=O)NC2=CC(=CC=C2)F)NC(=O)C3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCCC5)Cl

DOS

IR

Vibrations