Geometry & MOs

Info

ID:	148784
PubChem CID:	53788453
Reduced:	SF2O2H22C23 (1)
Stoich.:	AB2C2D22E23 (1)
Weight, g/mol:	323.084081
ΔH_f, kcal/mol:	-101.83
Dipole, Da:	2.0
IP(EA), eV:	-8.7(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-8-[(5-phenylthiophen-2-yl)methyl]-3,7-dihydropurin-6-one

Drug info:

PubChemData

Smile

CC1(C(C1C(=O)OC(C=C)C2=CC(=CC=C2)SC3=CC=CC=C3)C=C(F)F)C

DOS

IR

Vibrations