Geometry & MOs

Info

ID:

119910

PubChem CID:

50706791

Reduced:

ClO4N5C33H38 (1)

Stoich.:

AB4C5D33E38 (1)

Weight, g/mol:

609.308183

ΔHf, kcal/mol:

-127.51

Dipole, Da:

8.76

IP(EA), eV:

 -8.99(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-chloro-5-(diethylcarbamoyl)anilino]-2-oxoethyl]-N-[2-[(2-methylcyclohexyl)carbamoyl]phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)Cl)NC(=O)CN2CCC(CC2)C(=O)NC3=CC=CC=C3C(=O)NC4=CC=CC=C4C

DOS

IR

Vibrations