Geometry & MOs

Info

ID:	317148
PubChem CID:	126632659
Reduced:	NSO2H21C33 (1)
Stoich.:	ABC2D21E33 (1)
Weight, g/mol:	999.368559
ΔH_f, kcal/mol:	68.66
Dipole, Da:	7.47
IP(EA), eV:	-8.1(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-([1]benzofuro[2,3-b]carbazol-7-yl)-6-[3-(N-phenylanilino)carbazol-9-yl]pyrimidin-4-yl]-N,N-diphenylcarbazol-3-amine

Drug info:

PubChemData

Smile

CN1C2=CC=CC(=C2C3=C1C4=CC=CC=C4C5=CC=CC=C53)C6=CC7=C(C=C6)C8=CC=CC=C8S7(=O)=O

DOS

IR

Vibrations