Geometry & MOs

Info

ID:	444652
PubChem CID:	135263139
Reduced:	F2O2N3C28H35 (1)
Stoich.:	A2B2C3D28E35 (1)
Weight, g/mol:	283.087829
ΔH_f, kcal/mol:	-108.38
Dipole, Da:	2.87
IP(EA), eV:	-8.11(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(1,1-dioxo-1,4-thiazinan-4-yl)-3-methylphenyl]acetic acid

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C([C@H](N1CC3(CC3)F)C4=C(C=CC(=C4)OCCNCCCF)OC)NC5=CC=CC=C25

DOS

IR

Vibrations