Geometry & MOs

Info

ID:

94004

PubChem CID:

49998044

Reduced:

FO4N5C29H38 (1)

Stoich.:

AB4C5D29E38 (1)

Weight, g/mol:

549.331505

ΔHf, kcal/mol:

-212.84

Dipole, Da:

8.41

IP(EA), eV:

 -8.67(-0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC(=C(C=C1)C)NC(=O)CN2CCC(CC2)C(=O)NC3=C(C=CC(=C3)NC(=O)CC)F

DOS

IR

Vibrations