Geometry & MOs

Info

ID:	284954
PubChem CID:	104085483
Reduced:	NOSC12H19 (1)
Stoich.:	ABCD12E19 (1)
Weight, g/mol:	279.051834
ΔH_f, kcal/mol:	-47.21
Dipole, Da:	0.94
IP(EA), eV:	-8.92(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-1-(5-chlorothiophen-2-yl)butyl]sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CN)SC(C)CO

DOS

IR

Vibrations