Geometry & MOs

Info

ID:

189719

PubChem CID:

77894980

Reduced:

SF2N5O7C39H63 (1)

Stoich.:

AB2C5D7E39F63 (1)

Weight, g/mol:

605.1056

ΔHf, kcal/mol:

-460.05

Dipole, Da:

10.05

IP(EA), eV:

 -9.49(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[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] 2-aminoacetate

Drug info:

PubChemData

Smile

CC1(C2C1C(N(C2)C(=O)C(C3(CCCCC3)C)NC(=O)NC4(CCCCC4)CS(=O)(=O)C(C)(C)C)C(=O)NC(CCCC(F)F)C(=O)C(=O)NC5CC5)C

DOS

IR

Vibrations