Geometry & MOs

Info

ID:	267032
PubChem CID:	103580496
Reduced:	ClOSN2C9H11 (1)
Stoich.:	ABCD2E9F11 (1)
Weight, g/mol:	237.062363
ΔH_f, kcal/mol:	-14.71
Dipole, Da:	4.7
IP(EA), eV:	-8.92(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-(oxolan-2-ylmethylsulfanyl)benzonitrile

Drug info:

PubChemData

Smile

C1CC(OC1)CSC2=NC(=NC=C2)Cl

DOS

IR

Vibrations