Geometry & MOs

Info

ID:	47989
PubChem CID:	10536204
Reduced:	OC14H20 (1)
Stoich.:	AB14C20 (1)
Weight, g/mol:	204.118401
ΔH_f, kcal/mol:	-48.98
Dipole, Da:	5.51
IP(EA), eV:	-9.71(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-2-butyl-3-tert-butylsulfinyloxirane

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H](C2=CC(=O)CC[C@@H]12)C(=C)C

DOS

IR

Vibrations