Geometry & MOs

Info

ID:

379076

PubChem CID:

134352273

Reduced:

F2N7O9C41H53 (1)

Stoich.:

A2B7C9D41E53 (1)

Weight, g/mol:

218.131823

ΔHf, kcal/mol:

-470.14

Dipole, Da:

7.01

IP(EA), eV:

 -8.85(-0.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aR,5R,6S,6aS)-5-[(2R)-butan-2-yl]-6-fluoro-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)N[C@@H](CC2=CC(=CC(=C2)F)F)C(=O)N[C@H]3[C@@H](OC(=O)[C@@H]4C[C@H](CN4C(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H]5CCCN5C3=O)C)[C@@H](C)O)C)C)C

DOS

IR

Vibrations