Geometry & MOs

Info

ID:	377703
PubChem CID:	134223767
Reduced:	OSN5C20H21 (1)
Stoich.:	ABC5D20E21 (1)
Weight, g/mol:	620.138091
ΔH_f, kcal/mol:	42.07
Dipole, Da:	3.72
IP(EA), eV:	-8.47(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-(7H-[1]benzothiolo[2,3-b]carbazol-10-yl)-7-phenyl-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NN2C3=C1C(=C(S3)C(NC4CC5=CC=CC=C5C4)O)N)C

DOS

IR

Vibrations