Geometry & MOs

Info

ID:	216943
PubChem CID:	85087018
Reduced:	N4O4C15H20 (1)
Stoich.:	A4B4C15D20 (1)
Weight, g/mol:	316.063011
ΔH_f, kcal/mol:	-138.43
Dipole, Da:	1.87
IP(EA), eV:	-9.28(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[2-(dimethylamino)ethylimino]benzo[f][2,1,3]benzothiadiazole-4,5,9-trione

Drug info:

PubChemData

Smile

CC(C(=O)NC1C(N(C(=O)N(C1=O)C)C)N)OC2=CC=CC=C2

DOS

IR

Vibrations