Geometry & MOs

Info

ID:	320176
PubChem CID:	126658555
Reduced:	N2O2C7H10 (2)
Stoich.:	A2B2C7D10 (2)
Weight, g/mol:	472.208686
ΔH_f, kcal/mol:	-126.66
Dipole, Da:	12.58
IP(EA), eV:	-9.19(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3S,4R,5R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]methyl]pentan-3-yloxy-(2-hydroxybutan-2-yl)phosphinic acid

Drug info:

PubChemData

Smile

CCC(C)CC1C([C@H]([C@@H](O1)N2C=NC3=C2NC=NC3=O)O)O

DOS

IR

Vibrations