Geometry & MOs

Info

ID:

215710

PubChem CID:

85085131

Reduced:

N8O11C72H88 (1)

Stoich.:

A8B11C72D88 (1)

Weight, g/mol:

1245.519473

ΔHf, kcal/mol:

-361.92

Dipole, Da:

17.75

IP(EA), eV:

 -7.78(-1.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(tert-butylamino)-6-oxo-2,3,4,5-tetrahydro-1H-purin-9-yl]oxolan-3-yl] N-[[5-(6-benzamidopurin-9-yl)-3-[2-cyanoethoxy-[di(propan-2-yl)amino]phosphanyl]oxyoxolan-2-yl]methyl]sulfamate

Drug info:

PubChemData

Smile

CCC1=C(C2=CC3=C(C(=C(N3)C=C4C(C(C(=N4)C5=C6C(=C(C(=N6)C=C1N2)C)C(=O)C5)CCC(=O)NCCCCCCN(CCCCCCN(CCCCCCNC(=O)C7=C(C(=CC=C7)O)O)C(=O)C8=C(C(=CC=C8)O)O)C(=O)C9=C(C(=CC=C9)O)O)C)C)CC)C

DOS

IR

Vibrations