Geometry & MOs

Info

ID:	227977
PubChem CID:	87563159
Reduced:	NSO4C13H15 (1)
Stoich.:	ABC4D13E15 (1)
Weight, g/mol:	178.039672
ΔH_f, kcal/mol:	-124.45
Dipole, Da:	6.48
IP(EA), eV:	-9.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1,3-dioxan-2-yl)propanoyl chloride

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCC2=COC(=N2)C

DOS

IR

Vibrations