Geometry & MOs

Info

ID:	313796
PubChem CID:	126617801
Reduced:	O2N5H13C17 (1)
Stoich.:	A2B5C13D17 (1)
Weight, g/mol:	263.036462
ΔH_f, kcal/mol:	50.59
Dipole, Da:	6.03
IP(EA), eV:	-8.99(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 11-methoxy-7-thia-2,5,9-triazatricyclo[6.4.0.02,6]dodeca-1(8),3,5,9,11-pentaene-4-carboxylate

Drug info:

PubChemData

Smile

COC1=CN=CC(=C1)NC(=O)C2=NC3=NC4=CC=CC=C4N3C=C2

DOS

IR

Vibrations