Geometry & MOs

Info

ID:

116355

PubChem CID:

50557566

Reduced:

Cl2O4N5C27H33 (1)

Stoich.:

A2B4C5D27E33 (1)

Weight, g/mol:

555.261232

ΔHf, kcal/mol:

-160.67

Dipole, Da:

11.1

IP(EA), eV:

 -8.9(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-chloro-3-(propylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-4-(2-methylpropanoylamino)phenyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCNC(=O)C1=C(C=CC(=C1)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=C(C=C3)Cl)C(=O)N(C)C)Cl

DOS

IR

Vibrations