Geometry & MOs

Info

ID:	51168
PubChem CID:	12013802
Reduced:	NOSH9C14 (1)
Stoich.:	ABCD9E14 (1)
Weight, g/mol:	239.040485
ΔH_f, kcal/mol:	29.15
Dipole, Da:	3.7
IP(EA), eV:	-8.02(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3H-[1]benzothiolo[2,3-f]indol-1-ol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=C(S2)C=CC4=C3C(=CN4)O

DOS

IR

Vibrations