Geometry & MOs

Info

ID:	356517
PubChem CID:	127291664
Reduced:	OSN5C17H21 (1)
Stoich.:	ABC5D17E21 (1)
Weight, g/mol:	358.121195
ΔH_f, kcal/mol:	50.73
Dipole, Da:	5.25
IP(EA), eV:	-9.22(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-cyclopropyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methyl]-4H-1lambda6,2,4-benzothiadiazine 1,1-dioxide

Drug info:

PubChemData

Smile

C1CC1C2=NN=C3N2CCN(C3)CC(=O)N4CCC5=C(C4)C=CS5

DOS

IR

Vibrations