Geometry & MOs

Info

ID:

106784

PubChem CID:

50176496

Reduced:

FN6O7C39H45 (1)

Stoich.:

AB6C7D39E45 (1)

Weight, g/mol:

714.446869

ΔHf, kcal/mol:

-282.32

Dipole, Da:

10.33

IP(EA), eV:

 -8.6(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[4-(cyclohexylcarbamoyl)-2-methylanilino]-1-oxopropan-2-yl]-N-[1-[2-(cyclopentylcarbamoyl)-6-methylanilino]-3-methyl-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)CN3CCC(CC3)C(=O)N4CCCC4C(=O)NC5=C(C=CC(=C5)C(=O)NC6=CC=C(C=C6)F)OC

DOS

IR

Vibrations