Geometry & MOs

Info

ID:	424964
PubChem CID:	135124596
Reduced:	ClSN3O3C18H20 (1)
Stoich.:	ABC3D3E18F20 (1)
Weight, g/mol:	120.060886
ΔH_f, kcal/mol:	-56.38
Dipole, Da:	3.87
IP(EA), eV:	-9.19(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-sulfanylpentan-1-ol

Drug info:

PubChemData

Smile

CCN1C2=C(C(=C(C=C2)[C@H](CC(=O)OC)C3=CC(=C(S3)Cl)CO)C)N=N1

DOS

IR

Vibrations