Geometry & MOs

Info

ID:	1476
PubChem CID:	4566
Reduced:	SO3N6C18H22 (1)
Stoich.:	AB3C6D18E22 (1)
Weight, g/mol:	402.14741
ΔH_f, kcal/mol:	-40.36
Dipole, Da:	11.92
IP(EA), eV:	-8.89(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(cyclohexylmethoxy)-7H-purin-2-yl]amino]benzenesulfonamide

Drug info:

PubChemData

Smile

C1CCC(CC1)COC2=NC(=NC3=C2NC=N3)NC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations