Geometry & MOs

Info

ID:	336482
PubChem CID:	127255489
Reduced:	BrSN2O2H9C16 (1)
Stoich.:	ABC2D2E9F16 (1)
Weight, g/mol:	399.88211
ΔH_f, kcal/mol:	16.65
Dipole, Da:	2.14
IP(EA), eV:	-8.82(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-diiodo-2,4,6-trimethylbenzaldehyde

Drug info:

PubChemData

Smile

C1=CSC(=C1)C2=C3C(=C(NC3=O)C4=CC=C(C=C4)Br)C(=O)N2

DOS

IR

Vibrations