Geometry & MOs

Info

ID:	298848
PubChem CID:	117661682
Reduced:	ON5H43C46 (1)
Stoich.:	AB5C43D46 (1)
Weight, g/mol:	618.187818
ΔH_f, kcal/mol:	177.64
Dipole, Da:	7.77
IP(EA), eV:	-9.1(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-bis(9-phenylcarbazol-3-yl)-2,1,3-benzothiadiazole

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)CCC1=CC=CC=C1)NCC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=NN4C(C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7

DOS

IR

Vibrations