Geometry & MOs

Info

ID:	442393
PubChem CID:	135251800
Reduced:	SN3C26H35 (1)
Stoich.:	AB3C26D35 (1)
Weight, g/mol:	495.156968
ΔH_f, kcal/mol:	28.02
Dipole, Da:	4.56
IP(EA), eV:	-7.58(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]-2-methylsulfanylphenothiazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N(C3=CC=CC=C3S2)CCCN4CCC(CC4)N5CCCCC5

DOS

IR

Vibrations