Geometry & MOs

Info

ID:

98879

PubChem CID:

50046932

Reduced:

ClF2N6O6C39H45 (1)

Stoich.:

AB2C6D6E39F45 (1)

Weight, g/mol:

616.280946

ΔHf, kcal/mol:

-310.09

Dipole, Da:

6.71

IP(EA), eV:

 -9.03(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-(3-carbamoylanilino)-2-oxoethyl]-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)F)NC(=O)C(C)N3CCC(CC3)C(=O)NC(C(C)C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations