Geometry & MOs

Info

ID:	444987
PubChem CID:	135264162
Reduced:	ClSN3C27H30 (1)
Stoich.:	ABC3D27E30 (1)
Weight, g/mol:	460.193297
ΔH_f, kcal/mol:	56.1
Dipole, Da:	4.41
IP(EA), eV:	-7.56(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-10-[3-[4-(4-nitrophenyl)piperazin-1-yl]propyl]phenothiazine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCN4CCN(CC4)CC5=CC=C(C=C5)Cl

DOS

IR

Vibrations