Geometry & MOs

Info

ID:	435955
PubChem CID:	135192999
Reduced:	ClFOSN3C19H21 (1)
Stoich.:	ABCDE3F19G21 (1)
Weight, g/mol:	377.076489
ΔH_f, kcal/mol:	-28.29
Dipole, Da:	1.49
IP(EA), eV:	-8.64(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@]1(CCN(C1)C(=NC2=CN=C(C=C2)OC)SC)C3=C(C=C(C=C3)F)Cl

DOS

IR

Vibrations