Geometry & MOs

Info

ID:	142986
PubChem CID:	53127551
Reduced:	S2N4O5C20H22 (1)
Stoich.:	A2B4C5D20E22 (1)
Weight, g/mol:	474.063189
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	5.52
IP(EA), eV:	-8.86(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,5-difluorophenyl)-2-[6-(4-methylphenyl)-2-methylsulfanyl-5,7-dioxo-[1,3]thiazolo[4,5-d]pyrimidin-4-yl]acetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNS(=O)(=O)C2=CC(=CS2)C3=NN=C(O3)C(=O)N4CCCCC4

DOS

IR

Vibrations