Geometry & MOs

Info

ID:	438508
PubChem CID:	135228250
Reduced:	ClO2N6C19H19 (1)
Stoich.:	AB2C6D19E19 (1)
Weight, g/mol:	396.105625
ΔH_f, kcal/mol:	34.9
Dipole, Da:	5.48
IP(EA), eV:	-9.47(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

15-fluoro-4-methyl-8-(4-methylphenyl)sulfonyl-2,3,9,11-tetrazatetracyclo[10.4.0.02,5.07,11]hexadeca-1(12),4,7,9,13,15-hexaene

Drug info:

PubChemData

Smile

CCOCC1=NN=C2N1CC3=C(N=CN3C4=C2C=C(C=C4)Cl)C5=N[C@H](CO5)C

DOS

IR

Vibrations