Geometry & MOs

Info

ID:	339549
PubChem CID:	127261539
Reduced:	O3N7C19H31 (1)
Stoich.:	A3B7C19D31 (1)
Weight, g/mol:	417.11069
ΔH_f, kcal/mol:	-77.64
Dipole, Da:	9.43
IP(EA), eV:	-8.73(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-6-yl]sulfanyl-1-phenylethanone

Drug info:

PubChemData

Smile

CCCCN(CCCC)/C=N/C1=NC(=O)C2=C(N1)N(C=N2)[C@H]3C[C@@H]([C@H](O3)CN)O

DOS

IR

Vibrations