Geometry & MOs

Info

ID:

120547

PubChem CID:

50733206

Reduced:

ClFO5N6C37H44 (1)

Stoich.:

ABC5D6E37F44 (1)

Weight, g/mol:

654.352969

ΔHf, kcal/mol:

-241.64

Dipole, Da:

6.03

IP(EA), eV:

 -8.67(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-methyl-1-[3-[(3-methylbenzoyl)amino]anilino]-1-oxobutan-2-yl]-1-[2-oxo-2-[2-(propylcarbamoyl)anilino]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C)N2CCC(CC2)C(=O)NCC(=O)NC3=CC(=C(C=C3)C)NC(=O)CC4=CC=C(C=C4)F

DOS

IR

Vibrations