Geometry & MOs

Info

ID:	160251
PubChem CID:	57309597
Reduced:	NPO2S2C13H18 (1)
Stoich.:	ABC2D2E13F18 (1)
Weight, g/mol:	366.222866
ΔH_f, kcal/mol:	-127.74
Dipole, Da:	4.34
IP(EA), eV:	-9.64(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[5-(3-oxooctyl)thiophen-2-yl]nonanoic acid

Drug info:

PubChemData

Smile

CCCSP(=S)(O)OC(C#N)C(C)C1=CC=CC=C1

DOS

IR

Vibrations