Geometry & MOs

Info

ID:	199149
PubChem CID:	79205448
Reduced:	ClNOSC14H18 (1)
Stoich.:	ABCDE14F18 (1)
Weight, g/mol:	300.082016
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	2.84
IP(EA), eV:	-8.56(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)phenyl]acetic acid

Drug info:

PubChemData

Smile

CCCN(CCCl)C(=O)C1CC2=CC=CC=C2S1

DOS

IR

Vibrations