Geometry & MOs

Info

ID:

116338

PubChem CID:

50557078

Reduced:

ClFO4N5C33H37 (1)

Stoich.:

ABC4D5E33F37 (1)

Weight, g/mol:

603.261232

ΔHf, kcal/mol:

-188.88

Dipole, Da:

1.76

IP(EA), eV:

 -9.13(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(2-methylpropylcarbamoyl)anilino]-2-oxoethyl]-N-[2-methyl-6-(phenylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1NC(=O)C2CCN(CC2)CC(=O)NC3=CC(=C(C=C3)Cl)C(=O)NCC(C)C)C(=O)NC4=CC(=CC=C4)F

DOS

IR

Vibrations