Geometry & MOs

Info

ID:	435956
PubChem CID:	135193001
Reduced:	ClFOSN3H17C18 (1)
Stoich.:	ABCDE3F17G18 (1)
Weight, g/mol:	401.076489
ΔH_f, kcal/mol:	-3.79
Dipole, Da:	5.29
IP(EA), eV:	-8.72(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,5R)-1-(2-chloro-4-fluorophenyl)-N-(6-methoxypyridin-3-yl)-3-azabicyclo[3.2.0]hept-6-yne-3-carboximidothioate

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)NC(=S)N2C[C@H]3C[C@]3(C2)C4=C(C=C(C=C4)F)Cl

DOS

IR

Vibrations