Geometry & MOs

Info

ID:	358694
PubChem CID:	127296484
Reduced:	OSN3C19H27 (1)
Stoich.:	ABC3D19E27 (1)
Weight, g/mol:	321.151098
ΔH_f, kcal/mol:	-15.12
Dipole, Da:	6.16
IP(EA), eV:	-8.8(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N(CCC(=O)NC1=C(C2=C(S1)CCC2)C#N)C3CCCC3

DOS

IR

Vibrations