Geometry & MOs

Info

ID:	308368
PubChem CID:	125326605
Reduced:	N2O4H14C15 (1)
Stoich.:	A2B4C14D15 (1)
Weight, g/mol:	388.149518
ΔH_f, kcal/mol:	-98.26
Dipole, Da:	6.21
IP(EA), eV:	-10.17(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8S)-2-amino-8-(benzylamino)-9-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8H-purin-6-one

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2=NC(=O)[C@H]3COCCC3=N2

DOS

IR

Vibrations