Geometry & MOs

Info

ID:

83564

PubChem CID:

49857920

Reduced:

N3O5H21C22 (1)

Stoich.:

A3B5C21D22 (1)

Weight, g/mol:

728.274383

ΔHf, kcal/mol:

-119.63

Dipole, Da:

3.96

IP(EA), eV:

 -8.53(-0.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC1(C2=CCN3C(=O)N(C(=O)N3C2C4=C(O1)C=C(C=C4)O)C5=CC=C(C=C5)OC)C

DOS

IR

Vibrations