Geometry & MOs

Info

ID:	218384
PubChem CID:	85089260
Reduced:	N2O8H22C23 (1)
Stoich.:	A2B8C22D23 (1)
Weight, g/mol:	454.163454
ΔH_f, kcal/mol:	-229.56
Dipole, Da:	6.94
IP(EA), eV:	-9.87(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-acetamido-4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]butanoate

Drug info:

PubChemData

Smile

CC1=CC2C3C=CC4(N3C(C1C(=C2C(=O)OC)C(=O)OC)C(=C4C(=O)OC)C(=O)OC)C#N

DOS

IR

Vibrations