Geometry & MOs

Info

ID:	402773
PubChem CID:	135057196
Reduced:	NO2C14H15 (1)
Stoich.:	AB2C14D15 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-35.17
Dipole, Da:	3.04
IP(EA), eV:	-9.37(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yloxy)acetic acid

Drug info:

PubChemData

Smile

C=C1C(CN(C1=O)CC2=CC=CC=C2)CC=O

DOS

IR

Vibrations