Geometry & MOs

Info

ID:	3566
PubChem CID:	9800
Reduced:	ClSN3O5C31H36 (1)
Stoich.:	ABC3D5E31F36 (1)
Weight, g/mol:	597.20642
ΔH_f, kcal/mol:	-127.01
Dipole, Da:	7.27
IP(EA), eV:	-7.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-(2-chlorophenothiazin-10-yl)propyl]piperazin-1-yl]ethyl 3,4,5-trimethoxybenzoate

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C(=O)OCCN2CCN(CC2)CCCN3C4=CC=CC=C4SC5=C3C=C(C=C5)Cl

DOS

IR

Vibrations