Geometry & MOs

Info

ID:	26739
PubChem CID:	796406
Reduced:	SN2O2C19H24 (1)
Stoich.:	AB2C2D19E24 (1)
Weight, g/mol:	346.9567
ΔH_f, kcal/mol:	-39.0
Dipole, Da:	7.97
IP(EA), eV:	-9.02(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-(4-fluorophenoxy)-5-iodo-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)CN2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

DOS

IR

Vibrations