Geometry & MOs

Info

ID:

117042

PubChem CID:

50586237

Reduced:

ClN6O6C37H51 (1)

Stoich.:

AB6C6D37E51 (1)

Weight, g/mol:

696.376597

ΔHf, kcal/mol:

-261.23

Dipole, Da:

8.19

IP(EA), eV:

 -8.88(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[3-(butan-2-ylcarbamoyl)-4-chloroanilino]-1-oxopropan-2-yl]-N-[1-[2-(butan-2-ylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=C(C=CC(=C1)NC(=O)C(C)N2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC=C3C(=O)N4CCOCC4)C)Cl

DOS

IR

Vibrations