Geometry & MOs

Info

ID:	123523
PubChem CID:	50852420
Reduced:	OSN2H20C22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	396.183778
ΔH_f, kcal/mol:	30.48
Dipole, Da:	3.71
IP(EA), eV:	-8.51(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[methyl(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)amino]ethyl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(C3=CC=CC=C3S1)CNC(=O)NC4=CC=CC=C4

DOS

IR

Vibrations