Geometry & MOs

Info

ID:

107358

PubChem CID:

50199896

Reduced:

F2N6O6C37H42 (1)

Stoich.:

A2B6C6D37E42 (1)

Weight, g/mol:

620.368619

ΔHf, kcal/mol:

-293.8

Dipole, Da:

12.3

IP(EA), eV:

 -9.04(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC(=C2)F)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC=CC=C4C(=O)N5CCOCC5

DOS

IR

Vibrations