Geometry & MOs

Info

ID:	435941
PubChem CID:	135192911
Reduced:	N3C5H13 (1)
Stoich.:	A3B5C13 (1)
Weight, g/mol:	391.092139
ΔH_f, kcal/mol:	20.08
Dipole, Da:	2.43
IP(EA), eV:	-8.07(1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C/C(=C/NC)/NNC

DOS

IR

Vibrations