Geometry & MOs

Info

ID:	249436
PubChem CID:	103089411
Reduced:	NO2S2C8H15 (1)
Stoich.:	AB2C2D8E15 (1)
Weight, g/mol:	205.150036
ΔH_f, kcal/mol:	-98.21
Dipole, Da:	6.11
IP(EA), eV:	-8.78(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-7-methyl-1-methylsulfanyloctan-4-ol

Drug info:

PubChemData

Smile

CSCCCC1N[C@@H](CS1)C(=O)O

DOS

IR

Vibrations