Geometry & MOs

Info

ID:	373338
PubChem CID:	131313436
Reduced:	S2N3C9H11 (1)
Stoich.:	A2B3C9D11 (1)
Weight, g/mol:	238.02998
ΔH_f, kcal/mol:	64.71
Dipole, Da:	1.23
IP(EA), eV:	-8.98(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-hydroxy-5-methoxy-1-benzothiophen-2-yl)acetic acid

Drug info:

PubChemData

Smile

CC1=CC(=NS1)C2=NC(=CS2)CCN

DOS

IR

Vibrations