Geometry & MOs

Info

ID:	43706
PubChem CID:	10321675
Reduced:	SN3O5C23H23 (1)
Stoich.:	AB3C5D23E23 (1)
Weight, g/mol:	453.169783
ΔH_f, kcal/mol:	-138.78
Dipole, Da:	5.72
IP(EA), eV:	-9.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-oxido-4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-4-ium-1-yl]ethanol

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=N2)C(=O)NCCCC(C3=CC=CS3)C(=O)N[C@H](CC(=O)O)C=O

DOS

IR

Vibrations