Geometry & MOs

Info

ID:	313131
PubChem CID:	126612123
Reduced:	O10C39H48 (1)
Stoich.:	A10B39C48 (1)
Weight, g/mol:	328.167459
ΔH_f, kcal/mol:	-376.26
Dipole, Da:	1.01
IP(EA), eV:	-9.26(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-6-methyl-4,5-bis(phenylmethoxy)oxan-2-ol

Drug info:

PubChemData

Smile

CC1(OC2C(OC3C(C2O1)OC(O3)(C)C)CO[C@H]4C[C@H](C(C(O4)COCC5=CC=CC=C5)OCC6=CC=CC=C6)OCC7=CC=CC=C7)C

DOS

IR

Vibrations