Geometry & MOs

Info

ID:	188936
PubChem CID:	77787030
Reduced:	N2F3O5C34H35 (1)
Stoich.:	A2B3C5D34E35 (1)
Weight, g/mol:	359.203134
ΔH_f, kcal/mol:	-291.91
Dipole, Da:	2.27
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-1-azabicyclo[2.2.2]octan-3-yl)-4-(5-methylpyrrolidin-2-yl)sulfanylbenzamide

Drug info:

PubChemData

Smile

CCC1=C(N=C(O1)C2=CC=CC=C2)CCCOC3=CC=C(C=C3)CC(C(=O)O)NC(=CC(C4=CC=C(C=C4)C(F)(F)F)O)C

DOS

IR

Vibrations