Geometry & MOs

Info

ID:	314262
PubChem CID:	126621074
Reduced:	SO4N6C29H32 (1)
Stoich.:	AB4C6D29E32 (1)
Weight, g/mol:	334.029125
ΔH_f, kcal/mol:	-15.21
Dipole, Da:	8.33
IP(EA), eV:	-8.46(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-6-morpholin-4-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene-12-carbaldehyde

Drug info:

PubChemData

Smile

CCCOC1=C(C2=C(C=C1)NC=C2)C3=NC4=C(C(=N3)N5CCOCC5)OC6=C4C=C(C=N6)CN7CCS(=O)CC7

DOS

IR

Vibrations