Geometry & MOs

Info

ID:	236153
PubChem CID:	92711737
Reduced:	BrFOSN2H22C24 (1)
Stoich.:	ABCDE2F22G24 (1)
Weight, g/mol:	450.177727
ΔH_f, kcal/mol:	-35.4
Dipole, Da:	4.97
IP(EA), eV:	-8.91(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-N-(2-ethoxyphenyl)-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=CC=C4Br)C5=CC=C(C=C5)F

DOS

IR

Vibrations