Geometry & MOs

Info

ID:	250847
PubChem CID:	103099469
Reduced:	ClN2O2S2C12H19 (1)
Stoich.:	AB2C2D2E12F19 (1)
Weight, g/mol:	350.088948
ΔH_f, kcal/mol:	-67.94
Dipole, Da:	3.9
IP(EA), eV:	-9.08(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-3-methyl-N-propylpiperidin-4-amine

Drug info:

PubChemData

Smile

CC1CN(CCC1NC)S(=O)(=O)C2=CC(=C(S2)Cl)C

DOS

IR

Vibrations