Geometry & MOs

Info

ID:	250849
PubChem CID:	103099472
Reduced:	ClN2O2S2C14H23 (1)
Stoich.:	AB2C2D2E14F23 (1)
Weight, g/mol:	322.057648
ΔH_f, kcal/mol:	-78.37
Dipole, Da:	3.73
IP(EA), eV:	-8.97(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-ethylpiperidin-4-amine

Drug info:

PubChemData

Smile

CCC1CN(CCC1NCC)S(=O)(=O)C2=CC(=C(S2)Cl)C

DOS

IR

Vibrations