Geometry & MOs

Info

ID:	14641
PubChem CID:	416681
Reduced:	AsSO5N6C13H13 (1)
Stoich.:	ABC5D6E13F13 (1)
Weight, g/mol:	439.988408
ΔH_f, kcal/mol:	13.65
Dipole, Da:	4.02
IP(EA), eV:	-9.84(-2.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(6-ethylsulfonyl-5H-purin-8-yl)diazenyl]phenyl]arsonic acid

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=NC=NC2=NC(=NC21)N=NC3=CC=C(C=C3)[As](=O)(O)O

DOS

IR

Vibrations