Geometry & MOs

Info

ID:	250966
PubChem CID:	103100436
Reduced:	ClN2O2S2C12H19 (1)
Stoich.:	AB2C2D2E12F19 (1)
Weight, g/mol:	294.026348
ΔH_f, kcal/mol:	-77.5
Dipole, Da:	3.7
IP(EA), eV:	-9.36(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCCC(N1S(=O)(=O)C2=CC(=C(S2)Cl)C)CN

DOS

IR

Vibrations