Geometry & MOs

Info

ID:	432162
PubChem CID:	135172294
Reduced:	OSC10H16 (1)
Stoich.:	ABC10D16 (1)
Weight, g/mol:	203.098
ΔH_f, kcal/mol:	-55.71
Dipole, Da:	5.14
IP(EA), eV:	-9.37(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-(aminomethyl)-3-[(1R)-1-hydroxy-2-methylpropyl]-2H-thiophen-2-ol

Drug info:

PubChemData

Smile

CC(=CCCC1(CC(=O)S1)C)C

DOS

IR

Vibrations