Geometry & MOs

Info

ID:	184325
PubChem CID:	77145536
Reduced:	FSO2N7H14C19 (1)
Stoich.:	ABC2D7E14F19 (1)
Weight, g/mol:	326.178299
ΔH_f, kcal/mol:	131.2
Dipole, Da:	9.1
IP(EA), eV:	-9.46(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-phenyl-1,7-diazapentacyclo[9.8.0.02,9.03,7.013,18]nonadeca-3,5,13,15,17-pentaene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=CSC(=N2)NN=C(CN3C=NC=N3)C4=CC=C(C=C4)F)[N+](=O)[O-]

DOS

IR

Vibrations