Geometry & MOs

Info

ID:	378654
PubChem CID:	134224748
Reduced:	NSH13C22 (1)
Stoich.:	ABC13D22 (1)
Weight, g/mol:	323.076871
ΔH_f, kcal/mol:	96.52
Dipole, Da:	2.7
IP(EA), eV:	-8.05(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

22-thia-12-azahexacyclo[11.11.0.02,11.05,10.015,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,23-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C4=CC5=C(C=C4S3)C6=CC=CC=C6N5

DOS

IR

Vibrations