Geometry & MOs

Info

ID:	296808
PubChem CID:	117594108
Reduced:	NNaCl2O7H28C35 (1)
Stoich.:	ABC2D7E28F35 (1)
Weight, g/mol:	406.138953
ΔH_f, kcal/mol:	-287.26
Dipole, Da:	8.76
IP(EA), eV:	-7.3(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-acetamidophenyl) 2-hydroxybenzoate;7H-purin-6-amine

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)[O-])Cl.CC(C)(C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)OC(=O)C4=CC=CC=C4.[Na+]

DOS

IR

Vibrations