Geometry & MOs

Info

ID:	184303
PubChem CID:	77142987
Reduced:	ClNF3O3C24H27 (1)
Stoich.:	ABC3D3E24F27 (1)
Weight, g/mol:	437.097619
ΔH_f, kcal/mol:	-300.9
Dipole, Da:	6.83
IP(EA), eV:	-9.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(5-amino-3,6,6-trimethyl-1,1-dioxo-2H-1,4-thiazin-3-yl)-4-fluorophenyl]-4-chlorobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C(C)C(F)(F)F)C(=O)NC2=C(C=CC(=C2)C(CC(=O)O)C(C)C)Cl

DOS

IR

Vibrations