Geometry & MOs

Info

ID:	156913
PubChem CID:	56394862
Reduced:	SCl2N2O3H16C17 (1)
Stoich.:	AB2C2D3E16F17 (1)
Weight, g/mol:	433.112999
ΔH_f, kcal/mol:	-97.75
Dipole, Da:	4.75
IP(EA), eV:	-9.76(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(methylsulfonylmethyl)-1-benzofuran-2-yl]-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C=CCCC(=O)NCCN1C(=O)/C(=C/C2=C(C=C(C=C2)Cl)Cl)/SC1=O

DOS

IR

Vibrations