Geometry & MOs

Info

ID:	77638
PubChem CID:	49658547
Reduced:	ClS2N3O3H20C21 (1)
Stoich.:	AB2C3D3E20F21 (1)
Weight, g/mol:	485.144299
ΔH_f, kcal/mol:	-43.09
Dipole, Da:	3.59
IP(EA), eV:	-8.44(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dimethylphenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]sulfonylthiophene-2-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)S(=O)(=O)C3=C(SC=C3)C(=O)NC4=CC(=CC=C4)Cl

DOS

IR

Vibrations