Geometry & MOs

Info

ID:

163829

PubChem CID:

74380518

Reduced:

FSN4O4H21C24 (1)

Stoich.:

ABC4D4E21F24 (1)

Weight, g/mol:

506.17879

ΔHf, kcal/mol:

-86.73

Dipole, Da:

7.6

IP(EA), eV:

 -8.99(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-[2-amino-5-(3-fluorophenyl)-1,3-thiazole-4-carbonyl]-2-azabicyclo[3.1.0]hexan-3-yl]methyl]-2,2-dimethyl-3H-1-benzofuran-7-carboxamide

Drug info:

PubChemData

Smile

C1C2CC2N(C1CNC(=O)C3=C4C(=CC=C3)OCO4)C(=O)C5=C(SC(=N5)N)C6=CC(=CC=C6)F

DOS

IR

Vibrations