Geometry & MOs

Info

ID:	88866
PubChem CID:	49957337
Reduced:	NSCl2H17C19 (1)
Stoich.:	ABC2D17E19 (1)
Weight, g/mol:	364.11063
ΔH_f, kcal/mol:	40.65
Dipole, Da:	2.32
IP(EA), eV:	-8.6(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[2-(4-methylphenoxy)ethylsulfanyl]-1,8,10,11,13,14-hexazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,8,12,14-hexaene

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)C2C3CC=CC3C4=C(C=CC(=C4N2)Cl)Cl

DOS

IR

Vibrations