Geometry & MOs

Info

ID:	337804
PubChem CID:	127258427
Reduced:	NOSC17H35 (1)
Stoich.:	ABCD17E35 (1)
Weight, g/mol:	231.165686
ΔH_f, kcal/mol:	-100.44
Dipole, Da:	1.3
IP(EA), eV:	-9.04(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[2-(diethylamino)butyl] butanethioate

Drug info:

PubChemData

Smile

CCCCCCCCCC(C)C(COC(=S)CCC)N

DOS

IR

Vibrations