Geometry & MOs

Info

ID:	372626
PubChem CID:	131301097
Reduced:	BrSO2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	336.9136
ΔH_f, kcal/mol:	-55.7
Dipole, Da:	5.27
IP(EA), eV:	-9.14(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1R)-1-aminoprop-2-enyl]-2,3-dibromo-6-methoxyphenol

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1C=C(S2)CBr)C(=O)O

DOS

IR

Vibrations