Geometry & MOs

Info

ID:

313260

PubChem CID:

126613110

Reduced:

SN2O3C21H24 (1)

Stoich.:

AB2C3D21E24 (1)

Weight, g/mol:

418.22162

ΔHf, kcal/mol:

-69.63

Dipole, Da:

2.67

IP(EA), eV:

 -8.85(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3S,3aR,6S,6aS)-6-(2-methylpyridin-3-yl)oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-[(5-oxo-1-propan-2-ylpyrrolidin-3-yl)methyl]urea

Drug info:

PubChemData

Smile

C1[C@@H]([C@@H]2[C@H](O1)[C@H](CO2)NC(=O)NCCC3=CC=CC=C3)/C=C\C4=CSC=C4

DOS

IR

Vibrations