Geometry & MOs

Info

ID:	45822
PubChem CID:	10517880
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	294.146724
ΔH_f, kcal/mol:	-210.0
Dipole, Da:	1.06
IP(EA), eV:	-9.46(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-phenylmethoxybut-2-ene-1,4-diol

Drug info:

PubChemData

Smile

C[C@@H]1[C@H]2[C@@H]([C@H]([C@H](O1)OCC3=CC=CC=C3)O)OC(O2)(C)C

DOS

IR

Vibrations