Geometry & MOs

Info

ID:	179558
PubChem CID:	76499478
Reduced:	O7C36H56 (1)
Stoich.:	A7B36C56 (1)
Weight, g/mol:	462.19032
ΔH_f, kcal/mol:	-261.77
Dipole, Da:	4.82
IP(EA), eV:	-8.52(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C2(CCCCCCCCCCCCCCOC23C(C3(C)C)C4C1(C5C=C(C(=O)C5(CC(=C4)CO)O)C)O)OC(=O)C

DOS

IR

Vibrations