Geometry & MOs

Info

ID:

434833

PubChem CID:

135175806

Reduced:

SF3N6O14C49H51 (1)

Stoich.:

AB3C6D14E49F51 (1)

Weight, g/mol:

425.173942

ΔHf, kcal/mol:

-573.64

Dipole, Da:

9.86

IP(EA), eV:

 -8.88(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-methyl-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione

Drug info:

PubChemData

Smile

C1CN(C[C@@H]1F)S(=O)(=O)NC2=C(C(=C(C=C2)F)C(=O)C3=CNC4=C3C=C(C=N4)C5=CC=C(C=C5)OCCOCCOCCOCCOCCOCCOC6=CC7=C(C=C6)C(=O)N(C7=O)C8CCC(=O)NC8=O)F

DOS

IR

Vibrations