Geometry & MOs

Info

ID:	176234
PubChem CID:	76014817
Reduced:	O2S2N3H11C16 (1)
Stoich.:	A2B2C3D11E16 (1)
Weight, g/mol:	303.067762
ΔH_f, kcal/mol:	17.85
Dipole, Da:	4.63
IP(EA), eV:	-8.48(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(oxolan-2-ylmethyl)-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,10,12-tetraene-4,6-dione

Drug info:

PubChemData

Smile

CSC1=CC=CC(=C1)N2C(=O)C3C(=NC2=O)C4=C(S3)N=CC=C4

DOS

IR

Vibrations