Geometry & MOs

Info

ID:	337805
PubChem CID:	127258428
Reduced:	NOSC12H25 (1)
Stoich.:	ABCD12E25 (1)
Weight, g/mol:	174.107836
ΔH_f, kcal/mol:	-64.52
Dipole, Da:	2.07
IP(EA), eV:	-8.8(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-(2-methylbutyl) butanethioate

Drug info:

PubChemData

Smile

CCCC(=S)OCC(CC)N(CC)CC

DOS

IR

Vibrations