Geometry & MOs

Info

ID:

116867

PubChem CID:

50578538

Reduced:

ClO5N6C39H51 (1)

Stoich.:

AB5C6D39E51 (1)

Weight, g/mol:

661.283111

ΔHf, kcal/mol:

-220.29

Dipole, Da:

11.86

IP(EA), eV:

 -8.78(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(cyclohexylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[(2-fluoro-4-methylphenyl)carbamoyl]-6-methylphenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=C(C=CC(=C2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=CC=CC=C5C(=O)N6CCCC(C6)C)Cl

DOS

IR

Vibrations