Geometry & MOs

Info

ID:	217813
PubChem CID:	85088425
Reduced:	ClO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	401.029374
ΔH_f, kcal/mol:	-55.2
Dipole, Da:	5.1
IP(EA), eV:	-8.51(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-acetyloxy-2-(6-aminopurin-9-yl)-5-(dichloromethylidene)oxolan-3-yl] acetate

Drug info:

PubChemData

Smile

CC1CC(N(C1)CC2=CC=CC=C2)CNC(=O)C3=CC(=C(C=C3OC)NC)Cl

DOS

IR

Vibrations