Geometry & MOs

Info

ID:

305431

PubChem CID:

124807212

Reduced:

O14C27H32 (1)

Stoich.:

A14B27C32 (1)

Weight, g/mol:

356.171162

ΔHf, kcal/mol:

-567.03

Dipole, Da:

3.96

IP(EA), eV:

 -9.25(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[(3aR,4R,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran-4-yl]-3-[(2S)-1,1,1-trifluoro-3-phenylpropan-2-yl]urea

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@H]2[C@H]([C@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=O)C[C@H](OC4=C3)C5=CC=C(C=C5)O)O)O)O)O)O)O)O

DOS

IR

Vibrations