Geometry & MOs

Info

ID:	30160
PubChem CID:	840383
Reduced:	BrO2N4C10H13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	298.073576
ΔH_f, kcal/mol:	-76.84
Dipole, Da:	4.24
IP(EA), eV:	-9.25(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-2,6-dioxo-7-propylpurin-8-yl)sulfanylacetic acid

Drug info:

PubChemData

Smile

CC[C@@H](C)N1C2=C(N=C1Br)N(C(=O)NC2=O)C

DOS

IR

Vibrations