Geometry & MOs

Info

ID:	232385
PubChem CID:	87576108
Reduced:	BrClO3N4C16H16 (1)
Stoich.:	ABC3D4E16F16 (1)
Weight, g/mol:	345.158492
ΔH_f, kcal/mol:	-59.29
Dipole, Da:	2.78
IP(EA), eV:	-8.94(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9H-carbazole-1-thiol;octane-1-thiol

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=C1CN3CC(C4=C3N=C(N=C4Cl)N)CO)Br)OCO2

DOS

IR

Vibrations