Geometry & MOs

Info

ID:	378653
PubChem CID:	134224747
Reduced:	NSH13C22 (1)
Stoich.:	ABC13D22 (1)
Weight, g/mol:	323.076871
ΔH_f, kcal/mol:	264.06
Dipole, Da:	3.19
IP(EA), eV:	-8.24(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-thia-22-azahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(24),2,4,6,8,10,13,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC3=C2C4=CC5=C(C=C4S3)C6=CC=CC=C6N5

DOS

IR

Vibrations