Geometry & MOs

Info

ID:	388785
PubChem CID:	134990199
Reduced:	NOF3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	455.122501
ΔH_f, kcal/mol:	-154.66
Dipole, Da:	2.4
IP(EA), eV:	-9.96(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(2-methoxyphenothiazin-10-yl)-2-methylpropyl] 4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C/C(=N\O)/CC1=CC(=CC=C1)C(F)(F)F

DOS

IR

Vibrations