Geometry & MOs

Info

ID:	337885
PubChem CID:	127258508
Reduced:	O2S2C13H16 (1)
Stoich.:	A2B2C13D16 (1)
Weight, g/mol:	216.136159
ΔH_f, kcal/mol:	-51.55
Dipole, Da:	1.32
IP(EA), eV:	-8.9(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-yloxy)ethyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCCSC(=S)C1=CC=CC=C1

DOS

IR

Vibrations