Geometry & MOs

Info

ID:	336657
PubChem CID:	127255664
Reduced:	BrSN2O3H7C8 (1)
Stoich.:	ABC2D3E7F8 (1)
Weight, g/mol:	172.019415
ΔH_f, kcal/mol:	-61.66
Dipole, Da:	2.37
IP(EA), eV:	-9.6(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(dihydroxymethyl)thiophen-2-yl]ethanone

Drug info:

PubChemData

Smile

CN1C(=C2C=CC(=CC2=N1)Br)S(=O)(=O)O

DOS

IR

Vibrations