Geometry & MOs

Info

ID:	84441
PubChem CID:	49866448
Reduced:	PN4O8C14H19 (1)
Stoich.:	AB4C8D14E19 (1)
Weight, g/mol:	394.114117
ΔH_f, kcal/mol:	-341.95
Dipole, Da:	2.57
IP(EA), eV:	-9.32(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,3R,4R,5R)-4-butoxy-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C=C[C@@H](CO)N1C=NC2=C(C1=O)N=CN2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O

DOS

IR

Vibrations