Geometry & MOs

Info

ID:	22903
PubChem CID:	599639
Reduced:	NOSCl2F3H10C20 (1)
Stoich.:	ABCD2E3F10G20 (1)
Weight, g/mol:	438.981225
ΔH_f, kcal/mol:	-132.69
Dipole, Da:	5.83
IP(EA), eV:	-8.72(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dichlorophenyl)-[2-(trifluoromethyl)phenothiazin-10-yl]methanone

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)C(F)(F)F)C(=O)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations