Geometry & MOs

Info

ID:	442394
PubChem CID:	135251805
Reduced:	ClS2N3C27H30 (1)
Stoich.:	AB2C3D27E30 (1)
Weight, g/mol:	461.19594
ΔH_f, kcal/mol:	65.12
Dipole, Da:	2.97
IP(EA), eV:	-7.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-10-[4-(4-phenylpiperazin-1-yl)butyl]phenothiazine

Drug info:

PubChemData

Smile

CSC1=CC2=C(C=C1)SC3=CC=CC=C3N2CCCCN4CCN(CC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations