Geometry & MOs

Info

ID:	236106
PubChem CID:	92711606
Reduced:	SN2O2C23H24 (1)
Stoich.:	AB2C2D23E24 (1)
Weight, g/mol:	406.151513
ΔH_f, kcal/mol:	-20.4
Dipole, Da:	4.56
IP(EA), eV:	-8.78(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(3-fluorophenyl)-1-phenyl-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)NCC4=CC=CO4)C5=CC=CC=C5

DOS

IR

Vibrations