Geometry & MOs

Info

ID:

109078

PubChem CID:

50271886

Reduced:

SF2O4N5C35H39 (1)

Stoich.:

AB2C4D5E35F39 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-202.3

Dipole, Da:

6.57

IP(EA), eV:

 -8.52(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[2-fluoro-5-[(3-fluorobenzoyl)amino]anilino]-3-methyl-1-oxobutan-2-yl]-1-[1-[2-methyl-4-(phenylcarbamoyl)anilino]-1-oxopropan-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)N4CCCC4C(=O)NC5=CC(=CC=C5)SC

DOS

IR

Vibrations