Geometry & MOs

Info

ID:	377739
PubChem CID:	134223803
Reduced:	ON2H42C63 (1)
Stoich.:	AB2C42D63 (1)
Weight, g/mol:	427.00303
ΔH_f, kcal/mol:	218.68
Dipole, Da:	1.71
IP(EA), eV:	-8.03(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-bromo-7-phenyl-[1]benzothiolo[2,3-b]carbazole

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2C3=C1C=C4C(=C3)C5=C(N4C6=CC(=CC(=C6)C7=CC=CC=C7)C8=CC=CC=C8)C=CC(=C5)C9=CC1=C(C=C9)OC2=C1C=C1C3=CC=CC=C3N(C1=C2)C1=CC=CC=C1)C

DOS

IR

Vibrations