Geometry & MOs

Info

ID:	314357
PubChem CID:	126621700
Reduced:	NSH17C28 (1)
Stoich.:	ABC17D28 (1)
Weight, g/mol:	489.118735
ΔH_f, kcal/mol:	126.46
Dipole, Da:	0.71
IP(EA), eV:	-8.02(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

22-dibenzofuran-2-yl-3-thia-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2C=C5C(=C4)C=CC6=C5SC7=CC=CC=C67

DOS

IR

Vibrations