Geometry & MOs

Info

ID:	389175
PubChem CID:	134991394
Reduced:	RuN4H12C20 (1)
Stoich.:	AB4C12D20 (1)
Weight, g/mol:	268.113316
ΔH_f, kcal/mol:	492.45
Dipole, Da:	3.67
IP(EA), eV:	-6.95(-3.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-(benzenesulfonyl)-3-tert-butyl-2,3-dimethyloxirane

Drug info:

PubChemData

Smile

C1=CC2=CC3=NC(=CC4=CC=C([N-]4)C=C5C=CC(=N5)C=C1[N-]2)C=C3.[Ru+2]

DOS

IR

Vibrations