Geometry & MOs

Info

ID:	46054
PubChem CID:	10520834
Reduced:	OSH11C13 (1)
Stoich.:	ABC11D13 (1)
Weight, g/mol:	336.049058
ΔH_f, kcal/mol:	40.87
Dipole, Da:	7.0
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.840130
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3S,4R,6R)-6-methoxy-2-methyl-4-(trifluoromethylsulfonyloxy)oxan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S[C]2[CH][CH][CH][C]2C=O

DOS

IR

Vibrations