Geometry & MOs

Info

ID:	188927
PubChem CID:	77787021
Reduced:	SO6N7C30H39 (1)
Stoich.:	AB6C7D30E39 (1)
Weight, g/mol:	413.174868
ΔH_f, kcal/mol:	-184.25
Dipole, Da:	5.37
IP(EA), eV:	-9.09(-1.39)
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-(trifluoromethyl)pyrrolidin-3-yl]sulfanylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC(CC1)NC(=O)C2=CC=C(S2)C3C4C(C5=C(C4=O)C(=CC=C5)N(C(=O)N)N6CCOCC6)NN3

DOS

IR

Vibrations