Geometry & MOs

Info

ID:	225887
PubChem CID:	87235930
Reduced:	ClC2N2H5 (1)
Stoich.:	AB2C2D5 (1)
Weight, g/mol:	531.98746
ΔH_f, kcal/mol:	13.75
Dipole, Da:	4.39
IP(EA), eV:	-9.76(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-4-[(3-bromophenyl)methylamino]-6-(1,1-dihydroxy-4H-1lambda4,2,4-benzothiadiazin-3-ylidene)thieno[3,2-b]pyridine-5,7-dione

Drug info:

PubChemData

Smile

C(/N=C/N)Cl

DOS

IR

Vibrations