Geometry & MOs

Info

ID:	167909
PubChem CID:	74894929
Reduced:	SN2O5H20C24 (1)
Stoich.:	AB2C5D20E24 (1)
Weight, g/mol:	329.148789
ΔH_f, kcal/mol:	-111.47
Dipole, Da:	7.25
IP(EA), eV:	-8.94(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-(2-morpholin-4-ylethylamino)-8,10,12-triazatricyclo[7.4.0.02,6]trideca-2(6),7,9,11-tetraene-5,13-dione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)C3C=NC4=C(C3=O)C=C(C=C4)OC

DOS

IR

Vibrations