Geometry & MOs

Info

ID:	407079
PubChem CID:	135079285
Reduced:	SiO2C29H40 (1)
Stoich.:	AB2C29D40 (1)
Weight, g/mol:	560.262787
ΔH_f, kcal/mol:	-100.22
Dipole, Da:	3.53
IP(EA), eV:	-8.9(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[[(2S,3R,4S,5R,6R)-4-hydroxy-5-methoxy-6-phenylmethoxy-3-tri(propan-2-yl)silyloxyoxan-2-yl]methyl] benzenecarbothioate

Drug info:

PubChemData

Smile

CC(=C)C([C@H]1[C@@H](CC[C@@]1(C)C=C)CO[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)O

DOS

IR

Vibrations