Geometry & MOs

Info

ID:	402697
PubChem CID:	135056929
Reduced:	O3C13H24 (1)
Stoich.:	A3B13C24 (1)
Weight, g/mol:	182.040151
ΔH_f, kcal/mol:	-146.59
Dipole, Da:	2.24
IP(EA), eV:	-9.96(0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-methyl-3-phenylthiirane 1,1-dioxide

Drug info:

PubChemData

Smile

COCO[C@H](C1CCCCC1)[C@H](CC=C)O

DOS

IR

Vibrations