Geometry & MOs

Info

ID:	9030
PubChem CID:	85388
Reduced:	OSN3H9C19 (1)
Stoich.:	ABC3D9E19 (1)
Weight, g/mol:	327.046633
ΔH_f, kcal/mol:	92.19
Dipole, Da:	8.12
IP(EA), eV:	-8.75(-2.09)
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(22),2,4,6,9,11,15,17,19(23),20-decaen-13-one

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C4C(=CC=C5C4=C(C=C3)C6=NC=NN6C5=O)S2

DOS

IR

Vibrations