Geometry & MOs

Info

ID:	18787
PubChem CID:	548236
Reduced:	NOSC11H11 (1)
Stoich.:	ABCD11E11 (1)
Weight, g/mol:	205.056135
ΔH_f, kcal/mol:	3.32
Dipole, Da:	4.36
IP(EA), eV:	-9.17(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methyl-1,3-oxathiolan-2-yl)benzonitrile

Drug info:

PubChemData

Smile

CC1(OCCS1)C2=CC=C(C=C2)C#N

DOS

IR

Vibrations