Geometry & MOs

Info

ID:

45046

PubChem CID:

10507470

Reduced:

OSN4H32C37 (1)

Stoich.:

ABC4D32E37 (1)

Weight, g/mol:

581.317311

ΔHf, kcal/mol:

126.89

Dipole, Da:

8.36

IP(EA), eV:

 -8.47(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[(2R,3R,4R,5R,6S)-2-[(1S)-1,2-dihydroxyethyl]-4,5-dihydroxy-6-(7H-purin-6-ylamino)oxan-3-yl]amino]-2-oxoethyl]-12-hydroxydodecanamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SN4C=C(N=C4)CCNC(=O)N(C5=CC=CC=C5)C6=CC=CC=C6

DOS

IR

Vibrations