Geometry & MOs

Info

ID:

379249

PubChem CID:

134356911

Reduced:

ON2S2H12C18 (1)

Stoich.:

AB2C2D12E18 (1)

Weight, g/mol:

850.437761

ΔHf, kcal/mol:

65.17

Dipole, Da:

5.46

IP(EA), eV:

 -8.3(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-5-[[(3R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl]-6-(benzylamino)-N-[2-(4-methoxyphenyl)ethyl]-2-[[3-methyl-3-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)butanoyl]amino]hexanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC3=C2C(=C(S3)C=O)N)C4=CC=CS4

DOS

IR

Vibrations