Geometry & MOs

Info

ID:	204609
PubChem CID:	79988426
Reduced:	BrNS2O4C11H16 (1)
Stoich.:	ABC2D4E11F16 (1)
Weight, g/mol:	281.07082
ΔH_f, kcal/mol:	-153.27
Dipole, Da:	1.91
IP(EA), eV:	-9.59(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-fluorophenyl)sulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCC(C)[C@@H](C(=O)O)NS(=O)(=O)C1=CC(=C(S1)Br)C

DOS

IR

Vibrations