Geometry & MOs

Info

ID:	281423
PubChem CID:	103913852
Reduced:	SN2O4C16H32 (1)
Stoich.:	AB2C4D16E32 (1)
Weight, g/mol:	307.046749
ΔH_f, kcal/mol:	-229.89
Dipole, Da:	4.46
IP(EA), eV:	-9.28(0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(5-chlorothiophen-2-yl)ethyl]-2-methylsulfonylcyclopentan-1-amine

Drug info:

PubChemData

Smile

CCS(=O)(=O)CC(C)NCC1CCCCN1C(=O)OC(C)(C)C

DOS

IR

Vibrations