Geometry & MOs

Info

ID:	218986
PubChem CID:	85090302
Reduced:	NSO3C17H17 (1)
Stoich.:	ABC3D17E17 (1)
Weight, g/mol:	252.154787
ΔH_f, kcal/mol:	-6.74
Dipole, Da:	5.02
IP(EA), eV:	-9.22(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-2-methoxyoctyl]sulfanylbenzene

Drug info:

PubChemData

Smile

C1C[C@@H]([C@H](OC1)C2=CC=CC=C2)SC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations