Geometry & MOs

Info

ID:	179292
PubChem CID:	76462155
Reduced:	O5N9H19C21 (1)
Stoich.:	A5B9C19D21 (1)
Weight, g/mol:	644.21733
ΔH_f, kcal/mol:	-36.01
Dipole, Da:	3.76
IP(EA), eV:	-8.89(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[[5-(6-amino-8-bromopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methylamino]acetate

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2O1)N3C4=NC=NC(=C4N=C3N=[N+]=[N-])N)CN5C(=O)C6=CC=CC=C6C5=O)C

DOS

IR

Vibrations