Geometry & MOs

Info

ID:	374542
PubChem CID:	131331278
Reduced:	BrSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	341.85256
ΔH_f, kcal/mol:	-46.72
Dipole, Da:	1.76
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,5-dibromo-3,4-difluorophenyl)prop-2-enoic acid

Drug info:

PubChemData

Smile

COC(=O)CC1=C2C(=CC=C1)SC=C2Br

DOS

IR

Vibrations