Geometry & MOs

Info

ID:	59470
PubChem CID:	24875014
Reduced:	SO3N9H25C29 (1)
Stoich.:	AB3C9D25E29 (1)
Weight, g/mol:	440.165562
ΔH_f, kcal/mol:	89.54
Dipole, Da:	2.66
IP(EA), eV:	-8.77(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethyl (2S)-2-amino-3-methylbutanoate;(Z)-but-2-enedioic acid

Drug info:

PubChemData

Smile

CC1=NN(C=N1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C5=C(C=CC=N5)C6=NC7=CC=CC=C7S6)OC

DOS

IR

Vibrations