Geometry & MOs

Info

ID:	168377
PubChem CID:	74959796
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	592.232185
ΔH_f, kcal/mol:	-70.11
Dipole, Da:	3.28
IP(EA), eV:	-9.74(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methoxy-5-(phenylmethoxymethyl)pyrrolo[3,2-d]pyrimidin-7-yl]-[2-phenyl-5-(2-phenyl-1,3-oxazolidin-4-yl)-1,3-dioxolan-4-yl]methanone

Drug info:

PubChemData

Smile

C1C2C3C(C(=O)N2C(O1)C4=CC=CC=C4)OC(O3)C5=CC=CC=C5

DOS

IR

Vibrations