Geometry & MOs

Info

ID:	388816
PubChem CID:	134990307
Reduced:	O3C29H48 (1)
Stoich.:	A3B29C48 (1)
Weight, g/mol:	339.147058
ΔH_f, kcal/mol:	-174.98
Dipole, Da:	4.78
IP(EA), eV:	-9.53(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-5-isocyanato-3-(4-methylphenoxy)-2-[(4-methylphenoxy)methyl]oxolane

Drug info:

PubChemData

Smile

CCCCCCCCCCC[C@H](C[C@H]1C(C(=O)O1)CCCCCC)OCC2=CC=CC=C2

DOS

IR

Vibrations