Geometry & MOs

Info

ID:	389029
PubChem CID:	134990931
Reduced:	BrNSH18C19 (1)
Stoich.:	ABCD18E19 (1)
Weight, g/mol:	303.038771
ΔH_f, kcal/mol:	69.79
Dipole, Da:	1.35
IP(EA), eV:	-8.65(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methylsulfinylphenothiazin-10-yl)ethanone

Drug info:

PubChemData

Smile

CN1CCC(=C2C3=C(C=C(C4=CC=CC=C42)Br)SC=C3)CC1

DOS

IR

Vibrations