Geometry & MOs

Info

ID:	348584
PubChem CID:	127273695
Reduced:	SO2N6C15H28 (1)
Stoich.:	AB2C6D15E28 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	-43.7
Dipole, Da:	3.76
IP(EA), eV:	-9.05(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopropylethyl)-N-[(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl)methyl]cyclopropanamine

Drug info:

PubChemData

Smile

CN(C1CCCCC1)S(=O)(=O)N2CCN(CC2)CCN3C=NC=N3

DOS

IR

Vibrations