Geometry & MOs

Info

ID:

443243

PubChem CID:

135258260

Reduced:

SN9O12C43H67 (1)

Stoich.:

AB9C12D43E67 (1)

Weight, g/mol:

929.43169

ΔHf, kcal/mol:

-454.38

Dipole, Da:

8.02

IP(EA), eV:

 -8.69(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2R,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-[3-(2-methylazirin-2-yl)propanoyloxy]oxolan-2-yl]methyl 9-[2-[2-[3-[[(5Z)-5-(2-hydroxy-1,2,3,3a,6,6a-hexahydrothieno[3,4-d]imidazol-4-ylidene)pentanoyl]amino]propoxy]ethoxy]ethoxy]-6-methylidene-5-oxononanoate

Drug info:

PubChemData

Smile

CC1(C=N1)CCC(=O)O[C@@H]2C(C(OC2N3CNC4=C(N=CN=C43)N)COC(=O)CCCC(=O)CCCCCOCCOCCOCCCNC(=O)CCCCC5C6C(CS5)NC(=O)N6)O

DOS

IR

Vibrations