Geometry & MOs

Info

ID:	426354
PubChem CID:	135143556
Reduced:	S2O4N5C25H31 (1)
Stoich.:	A2B4C5D25E31 (1)
Weight, g/mol:	642.241962
ΔH_f, kcal/mol:	-68.31
Dipole, Da:	8.09
IP(EA), eV:	-8.47(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-cyclohexa-1,5-dien-1-ylphenyl)-9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)carbazole

Drug info:

PubChemData

Smile

CCN(C1=C(C(=C(C=C1)C(CC(=O)O)C2=CC(=C(S2)C)CN3CCOC4=C(S3=O)C=NC=C4)C)N)N

DOS

IR

Vibrations