Geometry & MOs

Info

ID:

304678

PubChem CID:

124766046

Reduced:

SN2O4C21H22 (1)

Stoich.:

AB2C4D21E22 (1)

Weight, g/mol:

457.237685

ΔHf, kcal/mol:

-130.8

Dipole, Da:

3.25

IP(EA), eV:

 -8.93(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,2S,5R,6R,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

CCOC(=O)[C@]1([C@H]2[C@@H]([C@H](N1)C3=CC=CS3)C(=O)N(C2=O)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations