Geometry & MOs

Info

ID:	214274
PubChem CID:	84974866
Reduced:	ClO2S2N3C11H15 (1)
Stoich.:	AB2C2D3E11F15 (1)
Weight, g/mol:	420.118237
ΔH_f, kcal/mol:	-1.42
Dipole, Da:	7.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.770575
Charge, e:	1

Chem-info

IUPAC name:

2-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-ium-1-yl]-N-(2-methylcyclohexyl)acetamide

Drug info:

PubChemData

Smile

CC(C#N)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

DOS

IR

Vibrations