Geometry & MOs

Info

ID:

116704

PubChem CID:

50572081

Reduced:

ClN5O5C33H44 (1)

Stoich.:

AB5C5D33E44 (1)

Weight, g/mol:

599.287447

ΔHf, kcal/mol:

-216.36

Dipole, Da:

3.94

IP(EA), eV:

 -8.84(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-2-oxoethyl]-N-[2-methoxy-5-(2-methylpropylcarbamoyl)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)C(=O)N4CCCC(C4)C)OC)Cl

DOS

IR

Vibrations