Geometry & MOs

Info

ID:

94512

PubChem CID:

50002101

Reduced:

FO5N6C37H45 (1)

Stoich.:

AB5C6D37E45 (1)

Weight, g/mol:

592.337319

ΔHf, kcal/mol:

-223.97

Dipole, Da:

8.17

IP(EA), eV:

 -9.01(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-(butan-2-ylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[3-(5-carbamoyl-2-methylanilino)-3-oxopropyl]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)NCCC(=O)NC3=CC=C(C=C3)C(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations