Geometry & MOs

Info

ID:	386521
PubChem CID:	134982026
Reduced:	SO6C22H28 (1)
Stoich.:	AB6C22D28 (1)
Weight, g/mol:	446.191336
ΔH_f, kcal/mol:	-220.62
Dipole, Da:	5.77
IP(EA), eV:	-9.56(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-1-(1,3-benzodioxol-5-yl)-4-[tert-butyl(diphenyl)silyl]oxybut-2-en-1-ol

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)CC(C2C[C@@H]([C@H](O2)COCC3=CC=CC=C3)OC)O

DOS

IR

Vibrations