Geometry & MOs

Info

ID:

16938

PubChem CID:

480572

Reduced:

FSN3O10C38H46 (1)

Stoich.:

ABC3D10E38F46 (1)

Weight, g/mol:

755.288794

ΔHf, kcal/mol:

-410.82

Dipole, Da:

8.5

IP(EA), eV:

 -9.59(-1.26)

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-[5-[(4-fluorobenzoyl)amino]-2,2-dimethylpentyl]amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCCNC(=O)C1=CC=C(C=C1)F)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