Geometry & MOs

Info

ID:	204614
PubChem CID:	79988802
Reduced:	NOSC12H21 (1)
Stoich.:	ABCD12E21 (1)
Weight, g/mol:	281.07082
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	1.27
IP(EA), eV:	-8.82(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)sulfanyl-N-methyl-1-(3-methylthiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CCCNC(COCC)C1=C(C=CS1)C

DOS

IR

Vibrations