Geometry & MOs

Info

ID:

16935

PubChem CID:

480550

Reduced:

SN3O10C33H45 (1)

Stoich.:

AB3C10D33E45 (1)

Weight, g/mol:

675.282566

ΔHf, kcal/mol:

-399.73

Dipole, Da:

5.51

IP(EA), eV:

 -9.24(-0.69)

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

Drug info:

PubChemData

Smile

CC(=O)NCCCC(C)(C)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=CC5=C(C=C4)OCO5

DOS

IR

Vibrations