Geometry & MOs

Info

ID:	294864
PubChem CID:	117501082
Reduced:	NS2O5C12H13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	315.01062
ΔH_f, kcal/mol:	-133.82
Dipole, Da:	8.46
IP(EA), eV:	-10.18(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-aminopropanoyl)-6-bromo-2,3-dimethoxybenzaldehyde

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=CC(=C1S(=O)(=O)C)C2(CC2)N=C=O

DOS

IR

Vibrations