Geometry & MOs

Info

ID:

105390

PubChem CID:

50107079

Reduced:

ClF3O4N5C28H33 (1)

Stoich.:

AB3C4D5E28F33 (1)

Weight, g/mol:

550.290368

ΔHf, kcal/mol:

-328.0

Dipole, Da:

4.59

IP(EA), eV:

 -8.96(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)N)NC(=O)CN2CCC(CC2)C(=O)NC(C(C)C)C(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl

DOS

IR

Vibrations