Geometry & MOs

Info

ID:	218985
PubChem CID:	85090299
Reduced:	FOSC17H17 (1)
Stoich.:	ABCD17E17 (1)
Weight, g/mol:	315.092915
ΔH_f, kcal/mol:	-49.07
Dipole, Da:	2.7
IP(EA), eV:	-8.64(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3S)-3-(4-nitrophenyl)sulfanyl-2-phenyloxane

Drug info:

PubChemData

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C1C[C@@H]([C@H](OC1)C2=CC=CC=C2F)SC3=CC=CC=C3

DOS

IR

Vibrations