Geometry & MOs

Info

ID:

83565

PubChem CID:

49857945

Reduced:

PSN2O12C33H49 (1)

Stoich.:

ABC2D12E33F49 (1)

Weight, g/mol:

850.311163

ΔHf, kcal/mol:

-552.84

Dipole, Da:

7.87

IP(EA), eV:

 -9.04(-0.51)

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-[(2S,3R)-1-[4-(diethoxyphosphorylmethoxy)phenyl]-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]butan-2-yl]carbamate;benzoic acid

Drug info:

PubChemData

Smile

CCOP(=O)(COC1=CC=C(C=C1)CC([C@@H](CN(CC(C)C)S(=O)(=O)C2=CC=C(C=C2)OC)O)NC(=O)OC3CO[C@@H]4[C@H]3CCO4)OCC

DOS

IR

Vibrations