Geometry & MOs

Info

ID:	337866
PubChem CID:	127258489
Reduced:	NO5H17C18 (1)
Stoich.:	AB5C17D18 (1)
Weight, g/mol:	234.09258
ΔH_f, kcal/mol:	-75.54
Dipole, Da:	2.75
IP(EA), eV:	-9.6(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxy-3-oxopropyl)sulfanylethyl butanoate

Drug info:

PubChemData

Smile

CCCC(=O)OCC\1=CC=CC(=O)/C1=C\C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations