Geometry & MOs

Info

ID:	228162
PubChem CID:	87563553
Reduced:	ClN2S2O3H5C9 (1)
Stoich.:	AB2C2D3E5F9 (1)
Weight, g/mol:	291.120547
ΔH_f, kcal/mol:	-24.93
Dipole, Da:	5.82
IP(EA), eV:	-9.9(-1.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(8-fluoro-2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5-yl)propanethioamide

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)S(=O)(=O)C2=C(SN=C2Cl)C=O

DOS

IR

Vibrations