Geometry & MOs

Info

ID:

309673

PubChem CID:

126553840

Reduced:

SO2N7H25C28 (1)

Stoich.:

AB2C7D25E28 (1)

Weight, g/mol:

680.253506

ΔHf, kcal/mol:

141.06

Dipole, Da:

9.09

IP(EA), eV:

 -8.64(-2.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl (2S)-2-[[[(2S,3S,4R,5R)-5-(2-amino-6-ethoxypurin-9-yl)-2,4-difluoro-3-hydroxy-4-prop-1-en-2-yloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(S1)C2=CC=NC3=N/C(=C\4/C5=CC(=NC=C5NN4)C6=CC(=CN=C6)OCCN(C)C)/C=C23

DOS

IR

Vibrations