Geometry & MOs

Info

ID:	52469
PubChem CID:	12015336
Reduced:	SN2O2C12H14 (1)
Stoich.:	AB2C2D12E14 (1)
Weight, g/mol:	351.114044
ΔH_f, kcal/mol:	-34.91
Dipole, Da:	4.91
IP(EA), eV:	-9.58(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[4-(2,2-dimethyl-5-oxo-1,3-dioxolan-4-yl)-2-methoxyphenyl]methoxy]propyl thiocyanate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)NCCCSC#N

DOS

IR

Vibrations