Geometry & MOs

Info

ID:

53917

PubChem CID:

14718372

Reduced:

SiN2O4C26H38 (1)

Stoich.:

AB2C4D26E38 (1)

Weight, g/mol:

792.394559

ΔHf, kcal/mol:

-169.69

Dipole, Da:

3.56

IP(EA), eV:

 -8.24(0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(9E,19E,21E,26Z)-2,15,29-trihydroxy-11-methoxy-3,7,12,14,16,18-hexamethyl-26-[[(4-methylpiperazin-1-yl)amino]methylidene]-6,23,27-trioxo-8,30-dioxa-24-azatetracyclo[23.3.1.14,7.05,28]triaconta-1(28),2,4,9,19,21,25(29)-heptaen-13-yl] acetate

Drug info:

PubChemData

Smile

CN1CC[C@]23[C@H]4[C@H]1CC5=C2C(=C(C=C5)OCCN6CCOCC6)O[C@H]3[C@H](C=C4)O[Si](C)(C)C

DOS

IR

Vibrations