Geometry & MOs

Info

ID:	129300
PubChem CID:	51072217
Reduced:	BNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	192.04563
ΔH_f, kcal/mol:	-112.78
Dipole, Da:	1.04
IP(EA), eV:	-9.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,1-dioxothian-4-yl)acetic acid

Drug info:

PubChemData

Smile

B(C1=C(C=CC2=C1C=CC=N2)C)(O)O

DOS

IR

Vibrations