Geometry & MOs

Info

ID:	7306
PubChem CID:	72098
Reduced:	SN3O3H25C26 (1)
Stoich.:	AB3C3D25E26 (1)
Weight, g/mol:	459.161663
ΔH_f, kcal/mol:	-17.48
Dipole, Da:	2.89
IP(EA), eV:	-8.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1-phenothiazin-10-ylethanone

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(=O)N4C5=CC=CC=C5SC6=CC=CC=C64

DOS

IR

Vibrations