Geometry & MOs

Info

ID:	158850
PubChem CID:	57244079
Reduced:	N3O3C16H17 (1)
Stoich.:	A3B3C16D17 (1)
Weight, g/mol:	474.193223
ΔH_f, kcal/mol:	-39.6
Dipole, Da:	3.45
IP(EA), eV:	-8.81(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-carboxyethylsulfanyl-(4-dodecylthiophen-2-yl)methyl]sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)(CN1C=CC=C1)C(C(=O)OC2=C(C=CC=N2)C#N)O

DOS

IR

Vibrations