Geometry & MOs

Info

ID:	383753
PubChem CID:	134975656
Reduced:	ClNO4C7H12 (1)
Stoich.:	ABC4D7E12 (1)
Weight, g/mol:	198.035065
ΔH_f, kcal/mol:	-124.73
Dipole, Da:	4.75
IP(EA), eV:	-11.13(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-2-methylsulfonyl-3-phenyloxirane

Drug info:

PubChemData

Smile

COC(=O)CCCCC([N+](=O)[O-])Cl

DOS

IR

Vibrations