Geometry & MOs

Info

ID:	151263
PubChem CID:	53790963
Reduced:	O3C18H32 (1)
Stoich.:	A3B18C32 (1)
Weight, g/mol:	283.006992
ΔH_f, kcal/mol:	-148.8
Dipole, Da:	2.9
IP(EA), eV:	-9.61(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-benzothiophen-3-yl-(2-chloroacetyl)amino]acetic acid

Drug info:

PubChemData

Smile

CCCCCC=CC[C@@H]1[C@@H](O1)CCCCCCCC(=O)O

DOS

IR

Vibrations