Geometry & MOs

Info

ID:	187737
PubChem CID:	77617216
Reduced:	SO5N7C33H55 (1)
Stoich.:	AB5C7D33E55 (1)
Weight, g/mol:	510.154861
ΔH_f, kcal/mol:	-201.75
Dipole, Da:	5.03
IP(EA), eV:	-8.59(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[2-hydroxy-3-[(2-methyl-1,3-benzothiazol-5-yl)oxy]propyl]piperazin-1-yl]-2-(trifluoromethoxy)benzamide

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(NC(=O)C12CCN(CC2)C(C3C(NNC3C)C)C4=CC=C(C=C4)S(=O)(=O)N5CCN(CC5)C)C(C(C)C)O

DOS

IR

Vibrations