Geometry & MOs

Info

ID:

106552

PubChem CID:

50168236

Reduced:

ClO5N6C41H57 (1)

Stoich.:

AB5C6D41E57 (1)

Weight, g/mol:

577.32642

ΔHf, kcal/mol:

-245.77

Dipole, Da:

4.86

IP(EA), eV:

 -8.78(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(cyclopentylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[3-methoxy-4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(CC1)C(=O)C2=CC(=C(C=C2)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)Cl)C(=O)N5CCC(CC5)C)C

DOS

IR

Vibrations