Geometry & MOs

Info

ID:	158454
PubChem CID:	56463674
Reduced:	SCl2N2O6H12C14 (1)
Stoich.:	AB2C2D6E12F14 (1)
Weight, g/mol:	399.198048
ΔH_f, kcal/mol:	-184.65
Dipole, Da:	7.41
IP(EA), eV:	-9.04(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)OC)NS(=O)(=O)C2=C(N=C(C=C2)Cl)Cl)C(=O)O

DOS

IR

Vibrations