Geometry & MOs

Info

ID:

107878

PubChem CID:

50222507

Reduced:

FO5N6C31H41 (1)

Stoich.:

AB5C6D31E41 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-252.8

Dipole, Da:

3.59

IP(EA), eV:

 -8.83(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-(butan-2-ylcarbamoyl)-2-methylanilino]-2-oxoethyl]-N-[1-(3-carbamoylanilino)-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C)C(=O)NC3=CC(=C(C=C3)F)NC(=O)C(C)C

DOS

IR

Vibrations