Geometry & MOs

Info

ID:	67885
PubChem CID:	46507364
Reduced:	SO4N5H17C24 (1)
Stoich.:	AB4C5D17E24 (1)
Weight, g/mol:	441.172228
ΔH_f, kcal/mol:	-4.99
Dipole, Da:	5.59
IP(EA), eV:	-8.79(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-2-[2-(3-ethylphenyl)-1,1,3-trioxo-1lambda6,2,4-benzothiadiazin-4-yl]acetamide

Drug info:

PubChemData

Smile

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CC=C(C=C3)NC4=NN5C(=O)C6=CC=CC=C6N=C5S4

DOS

IR

Vibrations