Geometry & MOs

Info

ID:	22480
PubChem CID:	597359
Reduced:	SO3C13H18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	254.097666
ΔH_f, kcal/mol:	-138.82
Dipole, Da:	5.93
IP(EA), eV:	-9.49(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[5-(2-methylpropyl)thiophen-2-yl]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC1=CC=C(S1)C(=O)CCCC(=O)O

DOS

IR

Vibrations