Geometry & MOs

Info

ID:	413707
PubChem CID:	135086657
Reduced:	OSN3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	349.89762
ΔH_f, kcal/mol:	36.02
Dipole, Da:	3.66
IP(EA), eV:	-8.91(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dibromo-2-(2-oxobutoxy)benzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)SC2=NC=NC(=C2C=O)N

DOS

IR

Vibrations