Geometry & MOs

Info

ID:

316125

PubChem CID:

126630136

Reduced:

SCl2F3N3O6H32C33 (1)

Stoich.:

AB2C3D3E6F32G33 (1)

Weight, g/mol:

646.347883

ΔHf, kcal/mol:

-325.82

Dipole, Da:

3.79

IP(EA), eV:

 -8.65(-1.24)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,18E)-2,17,17-trimethyl-11-(2-oxo-2-pyrrolidin-1-ylethyl)-14-propan-2-yl-3-oxa-9,12,15,26,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(26),18,20(28),21,23(27),24-hexaene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=C3C=C(C=C(C3=NC=C2)OCCOCCC(=O)O)C(C4=CC=C(C=C4)Cl)C5=CC=C(C=C5)Cl)S(=O)(=O)C(F)(F)F

DOS

IR

Vibrations