Geometry & MOs

Info

ID:	173176
PubChem CID:	75606450
Reduced:	SO2N3C18H23 (1)
Stoich.:	AB2C3D18E23 (1)
Weight, g/mol:	404.209137
ΔH_f, kcal/mol:	-39.17
Dipole, Da:	8.47
IP(EA), eV:	-9.03(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(3-chloroanilino)-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]-4-methylpentan-1-ol

Drug info:

PubChemData

Smile

CC1C2C(SCC(=O)N=C2NN1)C3=CC=C(C=C3)OC4CCCC4

DOS

IR

Vibrations