Geometry & MOs

Info

ID:	187425
PubChem CID:	77571704
Reduced:	ClFO2N4H18C19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	760.212906
ΔH_f, kcal/mol:	-45.32
Dipole, Da:	2.04
IP(EA), eV:	-8.73(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-amino-2-methoxy-2-nitro-8H-purin-9-yl)-2,3,4-tribenzoyl-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=C(C(=CC=C3)Cl)F)OC4CCNC4

DOS

IR

Vibrations