Geometry & MOs

Info

ID:	17697
PubChem CID:	512727
Reduced:	PN4O7C11H13 (1)
Stoich.:	AB4C7D11E13 (1)
Weight, g/mol:	344.052186
ΔH_f, kcal/mol:	-301.48
Dipole, Da:	7.72
IP(EA), eV:	-8.72(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-amino-1-[(6R,7R)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5H-imidazo[4,5-c]pyridin-4-one

Drug info:

PubChemData

Smile

C1C2C([C@H]([C@@H](O2)N3C=NC4=C3C=C(NC4=O)N)O)OP(=O)(O1)O

DOS

IR

Vibrations