Geometry & MOs

Info

ID:	27502
PubChem CID:	821674
Reduced:	FNO2S2C15H18 (1)
Stoich.:	ABC2D2E15F18 (1)
Weight, g/mol:	247.95066
ΔH_f, kcal/mol:	-101.94
Dipole, Da:	5.23
IP(EA), eV:	-8.59(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromothiophen-2-yl)-1,3-dioxane

Drug info:

PubChemData

Smile

C1CN(CCC12OCCO2)C(=S)SCC3=CC=C(C=C3)F

DOS

IR

Vibrations