Geometry & MOs

Info

ID:

107076

PubChem CID:

50188521

Reduced:

FN6O6C36H41 (1)

Stoich.:

AB6C6D36E41 (1)

Weight, g/mol:

688.431219

ΔHf, kcal/mol:

-249.18

Dipole, Da:

4.16

IP(EA), eV:

 -9.17(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N2CCOCC2)NC(=O)C(C)N3CCC(CC3)C(=O)NCC(=O)NC4=CC=CC=C4C(=O)NC5=CC=C(C=C5)F

DOS

IR

Vibrations