Geometry & MOs

Info

ID:

95223

PubChem CID:

50007283

Reduced:

N5O5C34H49 (1)

Stoich.:

A5B5C34D49 (1)

Weight, g/mol:

606.352969

ΔHf, kcal/mol:

-227.4

Dipole, Da:

5.64

IP(EA), eV:

 -8.34(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[2-methyl-5-(methylcarbamoyl)anilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-5-(propylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C)OC

DOS

IR

Vibrations