Geometry & MOs

Info

ID:	250965
PubChem CID:	103100433
Reduced:	ClN2O2S2C14H15 (1)
Stoich.:	AB2C2D2E14F15 (1)
Weight, g/mol:	322.057648
ΔH_f, kcal/mol:	-37.51
Dipole, Da:	6.79
IP(EA), eV:	-8.25(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-chloro-4-methylthiophen-2-yl)sulfonyl-6-methylpiperidin-2-yl]methanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2=CC3=C(CCCN3)C=C2)Cl

DOS

IR

Vibrations