Geometry & MOs

Info

ID:	234163
PubChem CID:	92297847
Reduced:	FSO3N6H27C28 (1)
Stoich.:	ABC3D6E27F28 (1)
Weight, g/mol:	419.19574
ΔH_f, kcal/mol:	-79.15
Dipole, Da:	4.07
IP(EA), eV:	-8.83(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-6-[[(2S)-oxolan-2-yl]methyl]-2-[(Z)-3-phenylprop-2-enyl]purino[7,8-a]imidazole-1,3-dione

Drug info:

PubChemData

Smile

C1CCC(CC1)NC(=O)[C@@H](C2=CC3=C(C=C2)N=CC=C3)N(C4=CC(=CC=C4)F)C(=O)C5=C(C(=NS5)C(=O)N)N

DOS

IR

Vibrations