Geometry & MOs

Info

ID:	143143
PubChem CID:	53153274
Reduced:	FSO3N4H13C16 (1)
Stoich.:	ABC3D4E13F16 (1)
Weight, g/mol:	419.98917
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	2.57
IP(EA), eV:	-9.19(-1.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1N2C(=O)C3=NSC=C3N(C2=O)CC(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations