Geometry & MOs

Info

ID:	158178
PubChem CID:	56463108
Reduced:	ClSN3O3C20H30 (1)
Stoich.:	ABC3D3E20F30 (1)
Weight, g/mol:	446.300539
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	2.82
IP(EA), eV:	-9.02(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-butyl-7-(2-methylpropyl)-2,6-dioxopurin-8-yl]-N-[2-[cyclopropyl(methyl)amino]propyl]propanamide

Drug info:

PubChemData

Smile

CC1CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC(C)N(C)C3CC3)Cl

DOS

IR

Vibrations