Geometry & MOs

Info

ID:

16933

PubChem CID:

480512

Reduced:

SN3O11C35H43 (1)

Stoich.:

AB3C11D35E43 (1)

Weight, g/mol:

713.26183

ΔHf, kcal/mol:

-386.83

Dipole, Da:

5.3

IP(EA), eV:

 -9.53(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[1,3-benzodioxol-5-ylsulfonyl-[4-(furan-2-carbonylamino)-2,2-dimethylbutyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCNC(=O)C1=CC=CO1)CN(C[C@H]([C@H](CC2=CC=CC=C2)NC(=O)O[C@H]3CO[C@@H]4[C@H]3CCO4)O)S(=O)(=O)C5=CC6=C(C=C5)OCO6

DOS

IR

Vibrations