Geometry & MOs

Info

ID:

168280

PubChem CID:

74944597

Reduced:

S2N10O10C57H70 (1)

Stoich.:

A2B10C10D57E70 (1)

Weight, g/mol:

520.189275

ΔHf, kcal/mol:

-327.34

Dipole, Da:

8.21

IP(EA), eV:

 -8.41(-1.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[4-[4-[(4-methylphenyl)methyl]piperazin-1-yl]sulfonylphenyl]-1-propylpurine-2,6-dione

Drug info:

PubChemData

Smile

CC(C)C(C(=O)O)NC(=O)C1CSSC(C(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)NC(=O)C6CC7=CC=CC=C7CN6)(C)C

DOS

IR

Vibrations