Geometry & MOs

Info

ID:	360156
PubChem CID:	127300736
Reduced:	SN4O4C18H30 (1)
Stoich.:	AB4C4D18E30 (1)
Weight, g/mol:	375.136511
ΔH_f, kcal/mol:	-161.47
Dipole, Da:	6.22
IP(EA), eV:	-8.97(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5,5-dioxo-1H-[1,2,4]triazolo[5,1-c][1,2,4]benzothiadiazin-7-yl)-(4-ethyl-4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(C)C1=CN=C(O1)CN2CCN(CC2)CC(=O)NC3CCS(=O)(=O)C3

DOS

IR

Vibrations