Geometry & MOs

Info

ID:

95011

PubChem CID:

50005729

Reduced:

N5O5C29H39 (1)

Stoich.:

A5B5C29D39 (1)

Weight, g/mol:

551.310769

ΔHf, kcal/mol:

-198.27

Dipole, Da:

7.42

IP(EA), eV:

 -8.84(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=CC(=CC=C3)OC

DOS

IR

Vibrations