Geometry & MOs

Info

ID:

223849

PubChem CID:

85335655

Reduced:

NO11C31H37 (1)

Stoich.:

AB11C31D37 (1)

Weight, g/mol:

604.267919

ΔHf, kcal/mol:

-367.46

Dipole, Da:

5.19

IP(EA), eV:

 -9.74(-1.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl N-[3-hydroxy-4-[2-methylpropyl-[4-(tetrazolidin-5-yl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)COC(=O)CCC(=O)OC5=CC(=CC=C5)O[N+](=O)[O-])O)C)O

DOS

IR

Vibrations