Geometry & MOs

Info

ID:

16928

PubChem CID:

480353

Reduced:

SN4O9C33H48 (1)

Stoich.:

AB4C9D33E48 (1)

Weight, g/mol:

676.3142

ΔHf, kcal/mol:

-374.08

Dipole, Da:

2.54

IP(EA), eV:

 -9.49(-0.62)

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-[[2,2-dimethyl-5-(methylcarbamoylamino)pentyl]-(4-methoxyphenyl)sulfonylamino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCCNC(=O)NC)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)OC

DOS

IR

Vibrations