Geometry & MOs

Info

ID:

189720

PubChem CID:

77895594

Reduced:

BrSO5N7C24H28 (1)

Stoich.:

ABC5D7E24F28 (1)

Weight, g/mol:

645.07702

ΔHf, kcal/mol:

-118.19

Dipole, Da:

5.93

IP(EA), eV:

 -8.53(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

azanium;[1-[4-[2-[6-amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]purin-9-yl]ethyl]piperidin-1-yl]-1-oxopropan-2-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC(CC1)CCN2C3=NC=NC(=C3N=C2SC4=C(C=C5C(=C4)OCO5)Br)N)OC(=O)CN

DOS

IR

Vibrations