Geometry & MOs

Info

ID:	261981
PubChem CID:	103264308
Reduced:	NSO2C11H19 (1)
Stoich.:	ABC2D11E19 (1)
Weight, g/mol:	279.096286
ΔH_f, kcal/mol:	-95.01
Dipole, Da:	5.74
IP(EA), eV:	-8.64(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[2-(1,4-dithian-2-ylmethylamino)ethoxy]acetate

Drug info:

PubChemData

Smile

CC(=CC(=O)O)CNCC1CCSCC1

DOS

IR

Vibrations