Geometry & MOs

Info

ID:

114854

PubChem CID:

50499113

Reduced:

ClF2O4N5C29H34 (1)

Stoich.:

AB2C4D5E29F34 (1)

Weight, g/mol:

686.298346

ΔHf, kcal/mol:

-239.13

Dipole, Da:

8.65

IP(EA), eV:

 -8.92(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(3-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]-N-[2-[3-[(2-methylbenzoyl)amino]anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CC(=C(C=C1)Cl)C(=O)N(C)C)N2CCC(CC2)C(=O)N3CCCC3C(=O)NC4=C(C=C(C=C4)F)F

DOS

IR

Vibrations