Geometry & MOs

Info

ID:	209126
PubChem CID:	80627752
Reduced:	NOSC12H25 (1)
Stoich.:	ABCD12E25 (1)
Weight, g/mol:	345.05621
ΔH_f, kcal/mol:	-82.48
Dipole, Da:	1.67
IP(EA), eV:	-8.53(0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-bromo-4-fluorophenyl)-1-(thiolan-2-yl)ethyl]propan-1-amine

Drug info:

PubChemData

Smile

CCCNC(COC(C)C)C1CCCS1

DOS

IR

Vibrations