Geometry & MOs

Info

ID:	121877
PubChem CID:	50785041
Reduced:	SO4N5C20H23 (1)
Stoich.:	AB4C5D20E23 (1)
Weight, g/mol:	391.086974
ΔH_f, kcal/mol:	-91.93
Dipole, Da:	9.33
IP(EA), eV:	-8.49(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)SC(=N3)N4CCCCC4)OC

DOS

IR

Vibrations