Geometry & MOs

Info

ID:

118368

PubChem CID:

50639870

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

583.256147

ΔHf, kcal/mol:

-244.1

Dipole, Da:

7.34

IP(EA), eV:

 -8.92(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-5-(morpholine-4-carbonyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations