Geometry & MOs

Info

ID:	375017
PubChem CID:	131465200
Reduced:	O2N3C10H15 (1)
Stoich.:	A2B3C10D15 (1)
Weight, g/mol:	333.91606
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	4.05
IP(EA), eV:	-8.16(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-hydroxy-4-iodo-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

CN1[C@H](CNC2=COC=C21)CCC(=O)N

DOS

IR

Vibrations