Geometry & MOs

Info

ID:	218851
PubChem CID:	85090063
Reduced:	SO2N3C11H20 (2)
Stoich.:	AB2C3D11E20 (2)
Weight, g/mol:	516.11207
ΔH_f, kcal/mol:	-171.76
Dipole, Da:	3.69
IP(EA), eV:	-8.84(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[(3-bromophenyl)methylamino]purin-9-yl]-N-ethyl-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole-6-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC(CSC)C(=O)NC(CC1CCCCC1)C(CCSC2=NN=NN2C)O

DOS

IR

Vibrations