Geometry & MOs

Info

ID:	205165
PubChem CID:	80062737
Reduced:	NSO3C16H31 (1)
Stoich.:	ABC3D16E31 (1)
Weight, g/mol:	273.085721
ΔH_f, kcal/mol:	-170.6
Dipole, Da:	5.08
IP(EA), eV:	-8.76(1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylsulfonylcyclohexyl)-thiophen-2-ylmethanamine

Drug info:

PubChemData

Smile

CCCN1CCCC(CC1)(C2CCCC(C2)S(=O)(=O)C)O

DOS

IR

Vibrations