Geometry & MOs

Info

ID:	9029
PubChem CID:	85387
Reduced:	OSN3H9C19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	327.046633
ΔH_f, kcal/mol:	112.45
Dipole, Da:	7.52
IP(EA), eV:	-8.77(-2.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-thia-14,15,17-triazahexacyclo[10.9.2.02,7.09,22.014,18.019,23]tricosa-1(21),2,4,6,9(22),10,12,15,17,19(23)-decaen-20-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CC(=O)C4=C5C3=C(S2)C=CC5=CN6C4=NC=N6

DOS

IR

Vibrations