Geometry & MOs

Info

ID:	121879
PubChem CID:	50785182
Reduced:	FSO2N5C17H18 (1)
Stoich.:	ABC2D5E17F18 (1)
Weight, g/mol:	405.102624
ΔH_f, kcal/mol:	-65.78
Dipole, Da:	8.01
IP(EA), eV:	-8.91(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-2-[2-(diethylamino)-7-oxo-[1,3]thiazolo[4,5-d]pyrimidin-6-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC2=C(S1)C(=O)N(C=N2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations