Geometry & MOs

Info

ID:

95822

PubChem CID:

50015356

Reduced:

N5O5C31H43 (1)

Stoich.:

A5B5C31D43 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-206.17

Dipole, Da:

6.93

IP(EA), eV:

 -8.51(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(diethylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-oxo-1-(1-phenylethylamino)propan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC(C)C(=O)NC3=C(C=CC(=C3)C)OC

DOS

IR

Vibrations