Geometry & MOs

Info

ID:	291965
PubChem CID:	113995626
Reduced:	SBr3O3H7C12 (1)
Stoich.:	AB3C3D7E12 (1)
Weight, g/mol:	380.90343
ΔH_f, kcal/mol:	-51.91
Dipole, Da:	4.93
IP(EA), eV:	-9.51(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-amino-2-methyl-3-oxopropoxy)-3,5-dibromobenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)OCC2=CC(=CS2)Br)Br)C(=O)O

DOS

IR

Vibrations