Geometry & MOs

Info

ID:	374202
PubChem CID:	131325365
Reduced:	SO2H12C13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	266.95311
ΔH_f, kcal/mol:	-44.44
Dipole, Da:	5.24
IP(EA), eV:	-9.52(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-bromoacetyl)-1,3-benzoxazole-4-carbaldehyde

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2=CSC=C2C(=O)O

DOS

IR

Vibrations