Geometry & MOs

Info

ID:	308554
PubChem CID:	126496976
Reduced:	ON6C21H38 (1)
Stoich.:	AB6C21D38 (1)
Weight, g/mol:	380.01678
ΔH_f, kcal/mol:	-52.64
Dipole, Da:	2.17
IP(EA), eV:	-8.86(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-iodopurin-9-yl)methoxy]ethyl-trimethyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CC1(CC(CC(N1)(C)C)N(C)C2=NC(=NC(=N2)N3CCOCC3)C(C)(C)C)C

DOS

IR

Vibrations