Geometry & MOs

Info

ID:	44494
PubChem CID:	10503782
Reduced:	ClN3O3C25H26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	451.95975
ΔH_f, kcal/mol:	66.36
Dipole, Da:	36.69
IP(EA), eV:	-6.62(-3.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,7-bis(4-chlorophenyl)-4,5,6,7-tetrahydro-1,2,3-benzoselenadiazole-6-carboxylic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2CN(CC3=C2C=CC(=C3[N+]#N)OC)CC4=CC=CC=C4)OC.[Cl-]

DOS

IR

Vibrations