Geometry & MOs

Info

ID:	193195
PubChem CID:	78355336
Reduced:	SN4O4C18H20 (1)
Stoich.:	AB4C4D18E20 (1)
Weight, g/mol:	302.125314
ΔH_f, kcal/mol:	-70.93
Dipole, Da:	2.29
IP(EA), eV:	-8.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(7-benzyl-6-oxo-2,3,4,5-tetrahydro-1H-purin-2-yl)amino]acetate

Drug info:

PubChemData

Smile

CC1CC(=O)NC(N1)NN=CC2=CC(=C(C=C2)OC(=O)C3=CC=CS3)OC

DOS

IR

Vibrations