Geometry & MOs

Info

ID:	230287
PubChem CID:	87570586
Reduced:	OSN7H15C22 (1)
Stoich.:	ABC7D15E22 (1)
Weight, g/mol:	309.118967
ΔH_f, kcal/mol:	211.79
Dipole, Da:	11.51
IP(EA), eV:	-8.54(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=CN3C(=C(C=N3)C4=CSC(=C4)C(=O)NC5=C6C=CN=C6C=C5)N=C2

DOS

IR

Vibrations