Geometry & MOs

Info

ID:	217411
PubChem CID:	85087776
Reduced:	NO8H15C17 (1)
Stoich.:	AB8C15D17 (1)
Weight, g/mol:	361.049743
ΔH_f, kcal/mol:	-279.39
Dipole, Da:	3.71
IP(EA), eV:	-8.87(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-1-[4-dihydroxyphosphinothioyloxy-5-(hydroxymethyl)oxolan-2-yl]-5-prop-1-ynylpyrimidin-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=C(C(=CC(=C1)O)O)NC(=O)C=CC2=CC(=C(C(=C2)O)O)O

DOS

IR

Vibrations