Geometry & MOs

Info

ID:

16937

PubChem CID:

480570

Reduced:

S2N3O11C37H47 (1)

Stoich.:

A2B3C11D37E47 (1)

Weight, g/mol:

773.265202

ΔHf, kcal/mol:

-392.69

Dipole, Da:

15.5

IP(EA), eV:

 -9.6(-1.14)

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-[[5-(benzenesulfonamido)-2,2-dimethylpentyl]-(1,3-benzodioxol-5-ylsulfonyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCCNS(=O)(=O)C1=CC=CC=C1)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