Geometry & MOs

Info

ID:	185543
PubChem CID:	77312162
Reduced:	ClN2O6C11H17 (1)
Stoich.:	AB2C6D11E17 (1)
Weight, g/mol:	432.179755
ΔH_f, kcal/mol:	-294.82
Dipole, Da:	2.48
IP(EA), eV:	-9.44(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-anilino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-5-(methoxymethyl)oxolane-3,4-diol

Drug info:

PubChemData

Smile

CC(=O)OC1CN=C(C(C1OC(=O)C)OC(=O)C)N.Cl

DOS

IR

Vibrations