Geometry & MOs

Info

ID:	444989
PubChem CID:	135264164
Reduced:	ClSN3C26H28 (1)
Stoich.:	ABC3D26E28 (1)
Weight, g/mol:	447.214447
ΔH_f, kcal/mol:	58.1
Dipole, Da:	4.44
IP(EA), eV:	-7.56(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[3-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]propyl]-2-methylphenothiazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations