Geometry & MOs

Info

ID:	185603
PubChem CID:	77319688
Reduced:	NOC30H33 (1)
Stoich.:	ABC30D33 (1)
Weight, g/mol:	462.0764
ΔH_f, kcal/mol:	22.07
Dipole, Da:	4.38
IP(EA), eV:	-8.62(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethyl)-5-[5-iodo-4-(pentylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol

Drug info:

PubChemData

Smile

CCC(=C(C1=CC=CC=C1)C2=CC=CC=C2CC=CC(=O)N(CC)CC)C3=CC=CC=C3

DOS

IR

Vibrations