Geometry & MOs

Info

ID:	412486
PubChem CID:	135085381
Reduced:	BrFNSO3C10H11 (1)
Stoich.:	ABCDE3F10G11 (1)
Weight, g/mol:	579.195661
ΔH_f, kcal/mol:	-154.17
Dipole, Da:	7.32
IP(EA), eV:	-10.28(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(S)-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] N-[3,5-bis(trifluoromethyl)phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)NC[C@H](C(=O)F)Br

DOS

IR

Vibrations