Geometry & MOs

Info

ID:

145163

PubChem CID:

53473176

Reduced:

SN3O7C15H15 (1)

Stoich.:

AB3C7D15E15 (1)

Weight, g/mol:

1296.257259

ΔHf, kcal/mol:

-243.49

Dipole, Da:

5.55

IP(EA), eV:

 -9.13(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6,12,18,24-tetramethoxy-2,8,14,20-tetrakis(2-methylpropyl)-10,16,22-tris(trifluoromethylsulfonyloxy)-4-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaenyl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C1=CSC(=N1)NC(=O)[C@@H](CCC(=O)O)NC(=O)C2=CC(=C(C(=C2)O)O)O

DOS

IR

Vibrations