Geometry & MOs

Info

ID:

98852

PubChem CID:

50046657

Reduced:

ClF2N6O6C35H37 (1)

Stoich.:

AB2C6D6E35F37 (1)

Weight, g/mol:

700.374847

ΔHf, kcal/mol:

-287.07

Dipole, Da:

6.05

IP(EA), eV:

 -8.96(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[5-[(5-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-2-oxoethyl]-N-[3-methyl-1-[2-methyl-6-(propylcarbamoyl)anilino]-1-oxobutan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NCC(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations