Geometry & MOs

Info

ID:	313412
PubChem CID:	126614554
Reduced:	SN4H34C42 (1)
Stoich.:	AB4C34D42 (1)
Weight, g/mol:	594.187818
ΔH_f, kcal/mol:	192.89
Dipole, Da:	4.45
IP(EA), eV:	-8.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-naphthalen-2-yl-1,2-dihydronaphtho[1,2-e][1,3]benzothiazole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(NC(N2)C3=CC4=C(C=C3)C5=C(C=C4)C=CC6=C5NC(S6)C7=CC=CC(=C7)C8=CC=CC=C8)C9=CC=CC=C9

DOS

IR

Vibrations