Geometry & MOs

Info

ID:	389951
PubChem CID:	134996213
Reduced:	SO2C12H20 (1)
Stoich.:	AB2C12D20 (1)
Weight, g/mol:	278.132965
ΔH_f, kcal/mol:	-113.04
Dipole, Da:	3.34
IP(EA), eV:	-8.38(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S,3R,6R)-5-(difluoromethylidene)-2-methoxy-6-methyloxane-3-carboxylate

Drug info:

PubChemData

Smile

CC1([C@@H](C(=CS1)C(C)(C)C)C(=O)OC)C

DOS

IR

Vibrations