Geometry & MOs

Info

ID:

98797

PubChem CID:

50046354

Reduced:

FSO4N5C34H40 (1)

Stoich.:

ABC4D5E34F40 (1)

Weight, g/mol:

756.324703

ΔHf, kcal/mol:

-181.61

Dipole, Da:

12.44

IP(EA), eV:

 -8.47(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(2,6-difluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=C(C=C(C=C2)F)C)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C)C(=O)NC4=CC(=CC=C4)SC

DOS

IR

Vibrations