Geometry & MOs

Info

ID:	188159
PubChem CID:	77675942
Reduced:	ClSN2O5C18H23 (1)
Stoich.:	ABC2D5E18F23 (1)
Weight, g/mol:	512.16489
ΔH_f, kcal/mol:	-136.4
Dipole, Da:	9.5
IP(EA), eV:	-9.63(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-2-methylpiperazin-1-yl]-1-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propan-2-ol

Drug info:

PubChemData

Smile

CCOC(=O)C1=C2N(C3CCCCC3S2)C4CC(C(CC4C1=O)[N+](=O)[O-])Cl

DOS

IR

Vibrations