Geometry & MOs

Info

ID:

315870

PubChem CID:

126629195

Reduced:

ClO2S2N4C25H25 (1)

Stoich.:

AB2C2D4E25F25 (1)

Weight, g/mol:

593.321334

ΔHf, kcal/mol:

10.14

Dipole, Da:

6.5

IP(EA), eV:

 -9.06(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,11S,14S,18E)-25-(methoxymethyl)-2,11,17,17-tetramethyl-14-propan-2-yl-3-oxa-9,12,15,26,29-pentazatetracyclo[18.5.3.15,9.023,27]nonacosa-1(25),18,20(28),21,23,26-hexaene-4,10,13,16-tetrone

Drug info:

PubChemData

Smile

CS(=O)(=O)N1C2CCC1CC(C2)N3C=NC4=C3C=C(C=C4)C(C5=CC=C(C=C5)Cl)C6=NC=CS6

DOS

IR

Vibrations