Geometry & MOs

Info

ID:	393823
PubChem CID:	135021785
Reduced:	SN2C20H22 (1)
Stoich.:	AB2C20D22 (1)
Weight, g/mol:	496.304956
ΔH_f, kcal/mol:	49.2
Dipole, Da:	6.13
IP(EA), eV:	-8.2(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,9,22,25-tetraoxa-1,14,17,30-tetrazatricyclo[28.2.2.214,17]hexatriaconta-3,11,19,27-tetrayne

Drug info:

PubChemData

Smile

CC(C)(C)N1CC2(C3=CC=CC=C3C4=CC=CC=C42)N(C1=S)C

DOS

IR

Vibrations