Geometry & MOs

Info

ID:	147220
PubChem CID:	53786874
Reduced:	BrO3N4H13C18 (1)
Stoich.:	AB3C4D13E18 (1)
Weight, g/mol:	172.019415
ΔH_f, kcal/mol:	-17.11
Dipole, Da:	2.71
IP(EA), eV:	-8.82(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-thiophen-3-yloxypropanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)NC2=NC=NC3=C2C=C(C=C3)NC(=O)C=CC(=O)O

DOS

IR

Vibrations