Geometry & MOs

Info

ID:	143141
PubChem CID:	53152584
Reduced:	BrNO2C12H14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	406.050254
ΔH_f, kcal/mol:	-58.84
Dipole, Da:	2.28
IP(EA), eV:	-9.65(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)-2-(6-cyclopropyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)acetamide

Drug info:

PubChemData

Smile

CCCN1CC2=C(C=CC(=C2)Br)OCC1=O

DOS

IR

Vibrations