Geometry & MOs

Info

ID:

16930

PubChem CID:

480392

Reduced:

SN3O8C31H43 (1)

Stoich.:

AB3C8D31E43 (1)

Weight, g/mol:

617.277087

ΔHf, kcal/mol:

-329.58

Dipole, Da:

5.64

IP(EA), eV:

 -8.99(-0.65)

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-[(3-aminophenyl)sulfonyl-(2,2-dimethyl-5-oxohexyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(=O)CCC(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=CC=CC(=C4)N

DOS

IR

Vibrations