Geometry & MOs

Info

ID:

304680

PubChem CID:

124766048

Reduced:

FN3O4C25H32 (1)

Stoich.:

AB3C4D25E32 (1)

Weight, g/mol:

457.237685

ΔHf, kcal/mol:

-191.53

Dipole, Da:

6.86

IP(EA), eV:

 -8.79(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2R,5R,6S,7R)-2-N-tert-butyl-6-N-(2-fluorophenyl)-3-(2-methylbutan-2-yl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-2,6-dicarboxamide

Drug info:

PubChemData

Smile

CCC(C)(C)N1[C@@H]([C@@]23C=C[C@@H](O2)[C@H]([C@H]3C1=O)C(=O)NC4=CC=CC=C4F)C(=O)NC(C)(C)C

DOS

IR

Vibrations