Geometry & MOs

Info

ID:	185842
PubChem CID:	77358272
Reduced:	SN5O6C25H31 (1)
Stoich.:	AB5C6D25E31 (1)
Weight, g/mol:	354.165168
ΔH_f, kcal/mol:	-201.79
Dipole, Da:	5.46
IP(EA), eV:	-9.82(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-amino-6-oxo-5H-purin-9-yl)-2,2-bis(hydroxymethyl)butyl] 2-aminopropanoate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC(CCC1=CC(=CC=C1)C(=O)O)C(=O)N2CC(CC2C(=O)NCC3=CC=CC=C3)C(=N)N

DOS

IR

Vibrations