Geometry & MOs

Info

ID:	132698
PubChem CID:	51402719
Reduced:	OSN3C13H17 (1)
Stoich.:	ABC3D13E17 (1)
Weight, g/mol:	411.199878
ΔH_f, kcal/mol:	17.08
Dipole, Da:	4.39
IP(EA), eV:	-6.57(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-chlorocyclohexyl)oxy-1,2,3,4,4a,6,6a,7a,8,9,10,11,11a,12,12a,12b-hexadecahydrobenzo[a]phenothiazin-5-one

Drug info:

PubChemData

Smile

CC1(CC2=C(CO1)SC3=C2C4=[N+](CCN4)C=[NH+]3)C

DOS

IR

Vibrations