Geometry & MOs

Info

ID:

109649

PubChem CID:

50292630

Reduced:

ClF2N6O6C36H39 (1)

Stoich.:

AB2C6D6E36F39 (1)

Weight, g/mol:

672.343547

ΔHf, kcal/mol:

-303.68

Dipole, Da:

10.79

IP(EA), eV:

 -8.88(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(=O)NC2=CC(=C(C=C2)F)F)NC(=O)CN3CCC(CC3)C(=O)NC(C)C(=O)NC4=C(C=CC(=C4)C(=O)N5CCOCC5)Cl

DOS

IR

Vibrations