Geometry & MOs

Info

ID:	188769
PubChem CID:	77763459
Reduced:	N4O4C25H28 (1)
Stoich.:	A4B4C25D28 (1)
Weight, g/mol:	455.151492
ΔH_f, kcal/mol:	-60.48
Dipole, Da:	5.9
IP(EA), eV:	-8.6(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-3-(1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-ylidene)-5-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine-2,4-dione

Drug info:

PubChemData

Smile

CC1=C(C(C(=C(N1)C)OC(=O)OC(C)C)C2=CN=CC=C2)C3=NC(NO3)CC4=CC=CC=C4

DOS

IR

Vibrations