Geometry & MOs

Info

ID:

106882

PubChem CID:

50180269

Reduced:

ClN6O6C35H45 (1)

Stoich.:

AB6C6D35E45 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-240.25

Dipole, Da:

12.04

IP(EA), eV:

 -9.16(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[3-[(3-fluorobenzoyl)amino]-4-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-4-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=CC(=C(C=C4)C(=O)N5CCOCC5)Cl)C

DOS

IR

Vibrations