Geometry & MOs

Info

ID:	208418
PubChem CID:	80528373
Reduced:	NOSC7H12 (2)
Stoich.:	ABCD7E12 (2)
Weight, g/mol:	317.02491
ΔH_f, kcal/mol:	-76.54
Dipole, Da:	5.16
IP(EA), eV:	-9.0(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-fluorophenyl)-N-[(2-methylthiolan-2-yl)methyl]methanamine

Drug info:

PubChemData

Smile

CC(C)(CNS(=O)(=O)CC1CCNCC1)C2=CC=CS2

DOS

IR

Vibrations