Geometry & MOs

Info

ID:	225895
PubChem CID:	87235946
Reduced:	PSF3C6O6H12 (1)
Stoich.:	ABC3D6E6F12 (1)
Weight, g/mol:	477.147075
ΔH_f, kcal/mol:	-472.35
Dipole, Da:	3.05
IP(EA), eV:	-11.12(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1-(3-anilinopropyl)-3-(1,1-dihydroxy-4H-1lambda4,2,4-benzothiadiazin-3-ylidene)-1,8-naphthyridine-2,4-dione

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(COS(=O)(=O)C(F)(F)F)O

DOS

IR

Vibrations