Geometry & MOs

Info

ID:	408534
PubChem CID:	135081300
Reduced:	SN4H8C13 (1)
Stoich.:	AB4C8D13 (1)
Weight, g/mol:	219.104799
ΔH_f, kcal/mol:	122.5
Dipole, Da:	0.79
IP(EA), eV:	-8.53(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-azapentacyclo[11.4.0.02,6.03,5.07,12]heptadeca-1(17),7,9,11,13,15-hexaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3N=CC=C4N3C(=NC=N4)S2

DOS

IR

Vibrations