Geometry & MOs

Info

ID:	171611
PubChem CID:	75404222
Reduced:	SO2N4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	373.04425
ΔH_f, kcal/mol:	-52.68
Dipole, Da:	7.46
IP(EA), eV:	-8.86(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,10-dioxo-3-(thiomorpholine-4-carbonyl)thioxanthen-9-one

Drug info:

PubChemData

Smile

CC1=NSC(=C1C(=O)NC(C)C2=CC3=C(C=C2)NC(=O)CC3)NC

DOS

IR

Vibrations