Geometry & MOs

Info

ID:	250845
PubChem CID:	103099457
Reduced:	ClN2O2S2C13H21 (1)
Stoich.:	AB2C2D2E13F21 (1)
Weight, g/mol:	322.057648
ΔH_f, kcal/mol:	-65.77
Dipole, Da:	6.26
IP(EA), eV:	-9.06(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N2CCC(CC2)C(C)NC)Cl

DOS

IR

Vibrations