Geometry & MOs

Info

ID:	132883
PubChem CID:	51439944
Reduced:	NSO3C15H17 (1)
Stoich.:	ABC3D15E17 (1)
Weight, g/mol:	482.247047
ΔH_f, kcal/mol:	-102.35
Dipole, Da:	1.21
IP(EA), eV:	-8.76(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

(1R,2S,6R,7R,8R,12R)-5,5,11,11-tetraphenyl-4,10-diaza-3,9-diazoniatetracyclo[5.5.1.02,6.08,12]trideca-3,9-diene

Drug info:

PubChemData

Smile

C1CCC(CC1)[S@@](=O)[C@H]2C(=O)C3=CC=CC=C3NC2=O

DOS

IR

Vibrations