Geometry & MOs

Info

ID:	236148
PubChem CID:	92711724
Reduced:	ClFOSN2H22C24 (1)
Stoich.:	ABCDE2F22G24 (1)
Weight, g/mol:	434.182813
ΔH_f, kcal/mol:	-43.14
Dipole, Da:	7.42
IP(EA), eV:	-8.79(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2,3-dimethylphenyl)-1-(4-fluorophenyl)-3,4,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(S2)[C@H](N(CC3)C(=O)NC4=CC=C(C=C4)Cl)C5=CC=C(C=C5)F

DOS

IR

Vibrations