Geometry & MOs

Info

ID:	267033
PubChem CID:	103580497
Reduced:	FNOSC12H12 (1)
Stoich.:	ABCDE12F12 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-40.76
Dipole, Da:	6.91
IP(EA), eV:	-8.91(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-nitro-2-(oxolan-2-ylmethylsulfanyl)benzonitrile

Drug info:

PubChemData

Smile

C1CC(OC1)CSC2=CC=CC(=C2C#N)F

DOS

IR

Vibrations