Geometry & MOs

Info

ID:	377496
PubChem CID:	134223551
Reduced:	NOH12C21 (2)
Stoich.:	ABC12D21 (2)
Weight, g/mol:	350.97173
ΔH_f, kcal/mol:	128.95
Dipole, Da:	0.8
IP(EA), eV:	-8.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C=C(C=C3)C4=CC5=C(C=C4)NC6=C5C=C7C8=CC=CC=C8OC7=C6)C9=C2C=C1C(=C9)C2=CC=CC=C2O1

DOS

IR

Vibrations