Geometry & MOs

Info

ID:	232384
PubChem CID:	87576107
Reduced:	SO4H6C8 (1)
Stoich.:	AB4C6D8 (1)
Weight, g/mol:	426.00943
ΔH_f, kcal/mol:	-115.0
Dipole, Da:	4.12
IP(EA), eV:	-9.83(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-amino-7-[(6-bromo-4-methyl-1,3-benzodioxol-5-yl)methyl]-4-chloro-5,6-dihydropyrrolo[2,3-d]pyrimidin-5-yl]methanol

Drug info:

PubChemData

Smile

C1=CC2=C(C=CO2)C(=C1)S(=O)(=O)O

DOS

IR

Vibrations