Geometry & MOs

Info

ID:	232011
PubChem CID:	87575132
Reduced:	BrOSC12H15 (1)
Stoich.:	ABCD12E15 (1)
Weight, g/mol:	429.106017
ΔH_f, kcal/mol:	-27.23
Dipole, Da:	4.2
IP(EA), eV:	-8.8(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[4-(1,1,2,2-tetrafluoroethoxy)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CCSC1.C1=CC=C(C=C1)C(=O)CBr

DOS

IR

Vibrations