Geometry & MOs

Info

ID:

102576

PubChem CID:

50068226

Reduced:

ClF4O4N5C33H34 (1)

Stoich.:

AB4C4D5E33F34 (1)

Weight, g/mol:

738.334125

ΔHf, kcal/mol:

-338.88

Dipole, Da:

9.6

IP(EA), eV:

 -8.73(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-[4-[(3-fluoro-4-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-1-[1-[5-[(4-fluorophenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations