Geometry & MOs

Info

ID:	236152
PubChem CID:	92711736
Reduced:	ClFOSN2H24C25 (1)
Stoich.:	ABCDE2F24G25 (1)
Weight, g/mol:	484.06203
ΔH_f, kcal/mol:	-51.41
Dipole, Da:	4.58
IP(EA), eV:	-8.82(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NC(=O)N2CCC3=C([C@H]2C4=CC=C(C=C4)F)SC5=C3CCCC5

DOS

IR

Vibrations