Geometry & MOs

Info

ID:

98768

PubChem CID:

50046224

Reduced:

ClF4O4N5C33H34 (1)

Stoich.:

AB4C4D5E33F34 (1)

Weight, g/mol:

603.285698

ΔHf, kcal/mol:

-339.47

Dipole, Da:

5.1

IP(EA), eV:

 -9.07(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[5-[(4-fluoro-2-methylphenyl)carbamoyl]-2-methylanilino]-1-oxopropan-2-yl]-N-[2-(4-methoxyanilino)-2-oxoethyl]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)NCC(=O)NC4=C(C=CC(=C4)C(F)(F)F)Cl

DOS

IR

Vibrations