Geometry & MOs

Info

ID:

108455

PubChem CID:

50246630

Reduced:

F2O4N5C33H35 (1)

Stoich.:

A2B4C5D33E35 (1)

Weight, g/mol:

770.340353

ΔHf, kcal/mol:

-198.02

Dipole, Da:

7.66

IP(EA), eV:

 -9.06(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=C(C=CC=C2F)F)NC(=O)CN3CCC(CC3)C(=O)NC4=CC=C(C=C4)C(=O)N5CCCC5

DOS

IR

Vibrations