Geometry & MOs

Info

ID:	88868
PubChem CID:	49957340
Reduced:	SN6H12C16 (1)
Stoich.:	AB6C12D16 (1)
Weight, g/mol:	287.058929
ΔH_f, kcal/mol:	196.52
Dipole, Da:	2.5
IP(EA), eV:	-8.94(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,8,10,11,13,14-hexazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8,12,14-hexaen-12-ylsulfanyl)acetamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CSC2=NN=C3N2NC4=NC5=CC=CC=C5N43

DOS

IR

Vibrations