Geometry & MOs

Info

ID:

219274

PubChem CID:

85098343

Reduced:

N2O10C35H62 (1)

Stoich.:

A2B10C35D62 (1)

Weight, g/mol:

677.197791

ΔHf, kcal/mol:

-494.83

Dipole, Da:

3.74

IP(EA), eV:

 -8.75(0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(benzenesulfonyl)-N-[1,3-bis(cyclopropylmethyl)-7-[(4-methoxyphenyl)methyl]-2,6-dioxo-4,5-dihydropurin-8-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

CCC1C(C2C(NCC(CC(C(C(C(C(C(=O)O1)C)O)C)OC3C(C(CC(O3)C)N(C)C)OC(=O)C)(OCC(=C)CO2)C)C)C)(C)O

DOS

IR

Vibrations