Geometry & MOs

Info

ID:	62778
PubChem CID:	26736752
Reduced:	ClFSN3O3C21H23 (1)
Stoich.:	ABCD3E3F21G23 (1)
Weight, g/mol:	437.107709
ΔH_f, kcal/mol:	-119.35
Dipole, Da:	5.46
IP(EA), eV:	-8.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-chlorophenyl)piperazin-1-yl]-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]ethanone

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)N3CCN(CC3)C4=CC=CC=C4Cl

DOS

IR

Vibrations