Geometry & MOs

Info

ID:	442399
PubChem CID:	135251837
Reduced:	SF3N3C28H30 (1)
Stoich.:	AB3C3D28E30 (1)
Weight, g/mol:	469.114624
ΔH_f, kcal/mol:	-88.92
Dipole, Da:	5.31
IP(EA), eV:	-7.92(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-10-[3-[4-(4-chlorophenyl)piperazin-1-yl]propyl]phenothiazine

Drug info:

PubChemData

Smile

C1CN(CCN1CCCN2C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)CCC5=CC=CC=C5

DOS

IR

Vibrations