Geometry & MOs

Info

ID:

167435

PubChem CID:

74828413

Reduced:

ClFSO3N5C25H29 (1)

Stoich.:

ABCD3E5F25G29 (1)

Weight, g/mol:

559.182017

ΔHf, kcal/mol:

-120.09

Dipole, Da:

5.03

IP(EA), eV:

 -8.89(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(2-bicyclo[2.2.1]heptanyl)-2-chloro-9-[6-[(2-fluorophenyl)sulfanylmethyl]-2,2,3a-trimethyl-6,6a-dihydro-4H-furo[3,4-d][1,3]dioxol-4-yl]purin-6-amine

Drug info:

PubChemData

Smile

CC1(OC2C(OC(C2(O1)C)N3C=NC4=C(N=C(N=C43)Cl)NC5CCCC5)CSC6=CC=CC=C6F)C

DOS

IR

Vibrations