Geometry & MOs

Info

ID:	251015
PubChem CID:	103100854
Reduced:	NCl2O2S2C14H15 (1)
Stoich.:	AB2C2D2E14F15 (1)
Weight, g/mol:	307.010363
ΔH_f, kcal/mol:	-49.69
Dipole, Da:	3.21
IP(EA), eV:	-9.42(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-chloro-4-methylthiophen-2-yl)sulfonylpiperidine-2-carbaldehyde

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC(C)(CCl)C2=CC=CC=C2)Cl

DOS

IR

Vibrations