Geometry & MOs

Info

ID:

220213

PubChem CID:

85165370

Reduced:

SiN4O11C31H42 (1)

Stoich.:

AB4C11D31E42 (1)

Weight, g/mol:

674.366613

ΔHf, kcal/mol:

-361.79

Dipole, Da:

5.68

IP(EA), eV:

 -9.01(-1.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[15-[4-(3,3-dimethyloxiran-2-yl)-4-oxobutan-2-yl]-13-hydroxy-7,7,12,16-tetramethyl-14-oxo-6-(3,4,5-trihydroxyoxan-2-yl)oxy-17-pentacyclo[9.7.0.01,3.03,8.012,16]octadec-10-enyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC(CC1CC(CN1C(=O)OCC2=CC=C(C=C2)[N+](=O)[O-])O[Si](C)(C)C(C)(C)C)CNC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations