Geometry & MOs

Info

ID:	236146
PubChem CID:	92711721
Reduced:	FOSN2C26H27 (1)
Stoich.:	ABCD2E26F27 (1)
Weight, g/mol:	440.11254
ΔH_f, kcal/mol:	-46.56
Dipole, Da:	3.87
IP(EA), eV:	-8.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)N2CCC3=C([C@@H]2C4=CC=C(C=C4)F)SC5=C3CCCC5

DOS

IR

Vibrations