Geometry & MOs

Info

ID:

104846

PubChem CID:

50105766

Reduced:

F2O4N5C36H43 (1)

Stoich.:

A2B4C5D36E43 (1)

Weight, g/mol:

665.284732

ΔHf, kcal/mol:

-242.72

Dipole, Da:

5.11

IP(EA), eV:

 -9.13(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(3,4-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[3-methyl-1-(3-methylsulfanylanilino)-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)C(C(C)C)NC(=O)C2CCN(CC2)C(C)C(=O)NC3=C(C=CC(=C3)C(=O)NC4=CC(=C(C=C4)F)F)C

DOS

IR

Vibrations