Geometry & MOs

Info

ID:	337809
PubChem CID:	127258432
Reduced:	SO5C8H10 (1)
Stoich.:	AB5C8D10 (1)
Weight, g/mol:	188.123486
ΔH_f, kcal/mol:	-183.05
Dipole, Da:	4.07
IP(EA), eV:	-9.84(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-hexan-2-yl butanethioate

Drug info:

PubChemData

Smile

CCCC(=S)OC1C(C(=O)OC1=O)O

DOS

IR

Vibrations