Geometry & MOs

Info

ID:	249477
PubChem CID:	103089787
Reduced:	BrFNSCl2O2C11H13 (1)
Stoich.:	ABCDE2F2G11H13 (1)
Weight, g/mol:	237.118735
ΔH_f, kcal/mol:	-128.83
Dipole, Da:	3.39
IP(EA), eV:	-10.11(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,3-dihydro-1H-indol-2-yl)-4-methylsulfanylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)C1=C(C(=C(C=C1)Cl)F)Cl)CBr

DOS

IR

Vibrations