Geometry & MOs

Info

ID:	204342
PubChem CID:	79950316
Reduced:	NSC14H27 (1)
Stoich.:	ABC14D27 (1)
Weight, g/mol:	237.085721
ΔH_f, kcal/mol:	-47.92
Dipole, Da:	2.96
IP(EA), eV:	-8.49(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-N-(1-methylsulfonylpropan-2-yl)thiolan-3-amine

Drug info:

PubChemData

Smile

CCC(C1CCCCC1)NC2CC(SC2)C

DOS

IR

Vibrations