Geometry & MOs

Info

ID:	31829
PubChem CID:	3720129
Reduced:	ClSN2O4C24H25 (1)
Stoich.:	ABC2D4E24F25 (1)
Weight, g/mol:	447.052506
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	3.72
IP(EA), eV:	-9.54(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1,2,3-benzotriazin-3-yl)methyl 9,10,10-trioxothioxanthene-3-carboxylate

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=O)C3C(C2=O)C(NC3C4=CC=C(S4)Cl)(CC5=CC=CC=C5)C(=O)O

DOS

IR

Vibrations