Geometry & MOs

Info

ID:	436892
PubChem CID:	135212653
Reduced:	SN2O3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	499.204848
ΔH_f, kcal/mol:	-19.17
Dipole, Da:	2.45
IP(EA), eV:	-9.35(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

22-(9,9-dimethylfluoren-4-yl)-14,22,24-triazahexacyclo[12.10.0.02,7.08,13.015,23.016,21]tetracosa-1(24),2,4,6,8,10,12,15(23),16,18,20-undecaene

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(O)O)C2=NOC(=N2)CC3=CC=CS3

DOS

IR

Vibrations