Geometry & MOs

Info

ID:	173496
PubChem CID:	75644903
Reduced:	FSN2O2C13H17 (1)
Stoich.:	ABC2D2E13F17 (1)
Weight, g/mol:	310.086152
ΔH_f, kcal/mol:	-125.74
Dipole, Da:	4.4
IP(EA), eV:	-9.31(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-6-oxo-5-prop-2-enyl-5H-pyrimidin-4-olate

Drug info:

PubChemData

Smile

CCC1C(NC(NC1=O)SCC2=CC=C(C=C2)F)O

DOS

IR

Vibrations