Geometry & MOs

Info

ID:

90287

PubChem CID:

49968314

Reduced:

ClO5N6C35H47 (1)

Stoich.:

AB5C6D35E47 (1)

Weight, g/mol:

684.343547

ΔHf, kcal/mol:

-229.98

Dipole, Da:

6.94

IP(EA), eV:

 -8.8(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[(2-fluorophenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-1-[2-[2-methyl-5-(4-methylpiperidine-1-carbonyl)anilino]-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)C(=O)NC1=CC(=C(C=C1)Cl)NC(=O)CNC(=O)C2CCN(CC2)CC(=O)NC3=C(C=CC(=C3)C(=O)N4CCC(CC4)C)C

DOS

IR

Vibrations