Geometry & MOs

Info

ID:	328921
PubChem CID:	126729228
Reduced:	OSN2H32C43 (1)
Stoich.:	ABC2D32E43 (1)
Weight, g/mol:	593.210327
ΔH_f, kcal/mol:	149.91
Dipole, Da:	2.7
IP(EA), eV:	-8.14(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(7-methyl-7H-[1]benzofuro[3,2-c]xanthen-10-yl)phenyl]-4,6-diphenyl-1,3,5-triazine

Drug info:

PubChemData

Smile

CC1(C2=C(C=C(C=C2)C3=CC(=CC=C3)C4=NC(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6)OC7=C1C=CC8=C7SC9=C8CCC=C9)C

DOS

IR

Vibrations