Geometry & MOs

Info

ID:	434149
PubChem CID:	135174312
Reduced:	PO8N11C21H28 (1)
Stoich.:	AB8C11D21E28 (1)
Weight, g/mol:	330.072921
ΔH_f, kcal/mol:	-277.89
Dipole, Da:	12.32
IP(EA), eV:	-9.06(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-4-hydroxyoxolan-2-yl]methyl dihydrogen phosphate

Drug info:

PubChemData

Smile

C1CC(OC1COP(=O)(O)O[C@@H]2[C@@H](C(OC2N3C=NC4=C3NC(=NC4=O)N)CO)CN)N5C=NC6=C(N=CN=C65)N

DOS

IR

Vibrations