Geometry & MOs

Info

ID:

16932

PubChem CID:

480466

Reduced:

SN4O9C32H46 (1)

Stoich.:

AB4C9D32E46 (1)

Weight, g/mol:

662.29855

ΔHf, kcal/mol:

-380.48

Dipole, Da:

14.71

IP(EA), eV:

 -8.97(-0.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[5-[[(2R,3S)-3-[[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl]oxycarbonylamino]-2-hydroxy-4-phenylbutyl]-(4-aminophenyl)sulfonylamino]-4,4-dimethylpentyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(CCCNC(=O)OC)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)N

DOS

IR

Vibrations