Geometry & MOs

Info

ID:	442612
PubChem CID:	135253354
Reduced:	ClN4C15H15 (1)
Stoich.:	AB4C15D15 (1)
Weight, g/mol:	304.015704
ΔH_f, kcal/mol:	76.15
Dipole, Da:	2.83
IP(EA), eV:	-9.08(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4aR,6R,7S,7aS)-7-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-thieno[3,2-d][1,3,2]dioxaphosphinin-2-ium-6-yl]-4-aminopyrimidin-2-one

Drug info:

PubChemData

Smile

CCC1=CN=C2C(=C1Cl)C(=NN2CC3=CC=NC=C3)C

DOS

IR

Vibrations