Geometry & MOs

Info

ID:	136662
PubChem CID:	52081493
Reduced:	NOS2C19H19 (1)
Stoich.:	ABC2D19E19 (1)
Weight, g/mol:	376.078073
ΔH_f, kcal/mol:	9.03
Dipole, Da:	4.16
IP(EA), eV:	-8.41(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3,5-dimethylphenyl) 5-(4-fluorophenyl)-4,4-dioxo-2,3-dihydro-1,4-oxathiine-6-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CNC(=O)C2=C(SCCS2)C3=CC=CC=C3

DOS

IR

Vibrations