Geometry & MOs

Info

ID:

164531

PubChem CID:

74413086

Reduced:

NSiO2F3C15H20 (1)

Stoich.:

ABC2D3E15F20 (1)

Weight, g/mol:

852.510931

ΔHf, kcal/mol:

-181.14

Dipole, Da:

3.13

IP(EA), eV:

-9.96(-1.5)

Spin(Sz, S2):

None, None

Charge, e:

1

Chem-info

IUPAC name:

2-[4-hydroxy-2-(hydroxymethyl)-6-[(10,14,16,20-tetramethyl-22-azoniahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracos-4-en-7-yl)oxy]-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol

Drug info:

PubChemData

Smile

CC[Si](CC)(CC)C(=CC1=CC=C(C=C1)[N+](=O)[O-])C(F)(F)F

DOS

IR

Vibrations