Geometry & MOs

Info

ID:	296863
PubChem CID:	117597492
Reduced:	ClSN2O3C31H31 (1)
Stoich.:	ABC2D3E31F31 (1)
Weight, g/mol:	679.149747
ΔH_f, kcal/mol:	-31.35
Dipole, Da:	11.67
IP(EA), eV:	-7.27(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-[2-(trifluoromethyl)phenothiazin-10-yl]propyl]piperazin-1-yl]ethanol;3,4,5-trihydroxybenzoic acid;dihydrochloride

Drug info:

PubChemData

Smile

CN(C)CCCN1C2=CC=CC=C2SC3=C1C=C(C=C3)Cl.COC1=CC(=C(C=C1)C(=O)C2=CC=CC=C2)O

DOS

IR

Vibrations