Geometry & MOs

Info

ID:	337905
PubChem CID:	127258528
Reduced:	SO2C28H48 (1)
Stoich.:	AB2C28D48 (1)
Weight, g/mol:	172.109944
ΔH_f, kcal/mol:	-164.32
Dipole, Da:	1.89
IP(EA), eV:	-8.75(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-formylbutyl butanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(CC)(COC(=O)CCC)SC1=CC=CC=C1

DOS

IR

Vibrations