Geometry & MOs

Info

ID:	218705
PubChem CID:	85089839
Reduced:	SF2N4O5C22H28 (1)
Stoich.:	AB2C4D5E22F28 (1)
Weight, g/mol:	498.189669
ΔH_f, kcal/mol:	-274.91
Dipole, Da:	2.69
IP(EA), eV:	-9.28(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methylsulfanyl]-2-[(2-methoxyacetyl)amino]butanoate

Drug info:

PubChemData

Smile

CC(C)(C)CC(=O)CN1CN(CC1=O)C2=C(C=C(C=C2F)N3CC(OC3=O)CNC(=S)OC)F

DOS

IR

Vibrations