Geometry & MOs

Info

ID:	283132
PubChem CID:	103959532
Reduced:	NOSC11H17 (1)
Stoich.:	ABCD11E17 (1)
Weight, g/mol:	301.11365
ΔH_f, kcal/mol:	-38.38
Dipole, Da:	3.46
IP(EA), eV:	-8.64(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-[2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)phenyl]propan-1-amine

Drug info:

PubChemData

Smile

CC[C@@H](C1=CC=CC=C1SCCO)N

DOS

IR

Vibrations