Geometry & MOs

Info

ID:	67886
PubChem CID:	46507368
Reduced:	SN3O4C23H27 (1)
Stoich.:	AB3C4D23E27 (1)
Weight, g/mol:	427.156577
ΔH_f, kcal/mol:	-145.31
Dipole, Da:	2.46
IP(EA), eV:	-9.46(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=O)N(C3=CC=CC=C3S2(=O)=O)CC(=O)NC4CCCCC4

DOS

IR

Vibrations