Geometry & MOs

Info

ID:	207825
PubChem CID:	80454472
Reduced:	ClNSO5C10H10 (1)
Stoich.:	ABCD5E10F10 (1)
Weight, g/mol:	253.093663
ΔH_f, kcal/mol:	-117.32
Dipole, Da:	4.92
IP(EA), eV:	-10.25(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-(6-sulfanylhexoxy)benzonitrile

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CC1OC2=C(C=CC(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations