Geometry & MOs

Info

ID:	378652
PubChem CID:	134224746
Reduced:	NSH15C26 (1)
Stoich.:	ABC15D26 (1)
Weight, g/mol:	323.076871
ΔH_f, kcal/mol:	113.28
Dipole, Da:	1.69
IP(EA), eV:	-8.04(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-thia-22-azahexacyclo[11.11.0.02,11.03,8.015,23.016,21]tetracosa-1(24),2(11),3,5,7,9,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2SC4=CC5=C(C=C34)NC6=CC7=CC=CC=C7C=C65

DOS

IR

Vibrations