Geometry & MOs

Info

ID:	404947
PubChem CID:	135071843
Reduced:	NO2C13H17 (1)
Stoich.:	AB2C13D17 (1)
Weight, g/mol:	722.248897
ΔH_f, kcal/mol:	-70.32
Dipole, Da:	4.11
IP(EA), eV:	-8.48(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R,5R)-5-[6-(benzimidazol-1-yl)purin-9-yl]-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate

Drug info:

PubChemData

Smile

CC(=C)CC1=C(C=C(C=C1)OC)NC(=O)C

DOS

IR

Vibrations