Geometry & MOs

Info

ID:	381622
PubChem CID:	134972414
Reduced:	INO2H12C18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	381.161634
ΔH_f, kcal/mol:	81.9
Dipole, Da:	4.62
IP(EA), eV:	-9.3(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-6-(1,3-benzothiazol-2-ylsulfanyl)hexan-2-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=C(C=C3)I

DOS

IR

Vibrations