Geometry & MOs

Info

ID:

47196

PubChem CID:

10530596

Reduced:

SiO3C34H60 (1)

Stoich.:

AB3C34D60 (1)

Weight, g/mol:

543.929994

ΔHf, kcal/mol:

-270.68

Dipole, Da:

4.42

IP(EA), eV:

 -8.35(0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3,7-dichloro-11-(4-methylphenoxy)-1,9-dinitrobenzo[d][1,3,6,2]benzodioxathiaphosphocine 5,11-dioxide

Drug info:

PubChemData

Smile

C[C@H](CCC(C)(C(C)(C)O)O)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3C2=CC=C4[C@@]3(CC[C@@H](C4)O[Si](C)(C)C(C)(C)C)C)C

DOS

IR

Vibrations