Geometry & MOs

Info

ID:

435950

PubChem CID:

135192945

Reduced:

N3H15C23 (2)

Stoich.:

A3B15C23 (2)

Weight, g/mol:

391.092139

ΔHf, kcal/mol:

275.93

Dipole, Da:

2.87

IP(EA), eV:

 -8.56(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,5S)-1-(2-chloro-4-fluorophenyl)-N-(6-methoxypyridin-3-yl)-3-azabicyclo[3.1.0]hexane-3-carboximidothioate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC=CC(=C3)C4=CC(=CC=C4)N5C6=CC=CC=C6C7=CC=CC=C7N8C5=NC9=CC=CC=C98)C1=CC=CC=C1

DOS

IR

Vibrations