Geometry & MOs

Info

ID:	228589
PubChem CID:	87565369
Reduced:	BrNOC11H22 (1)
Stoich.:	ABCD11E22 (1)
Weight, g/mol:	627.072117
ΔH_f, kcal/mol:	-67.73
Dipole, Da:	10.48
IP(EA), eV:	-7.72(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-(1-benzothiophen-3-ylmethyl)-1-(pyridin-4-ylmethyl)-3-[4-(trifluoromethylsulfanyl)phenyl]imidazolidine-2,4-dione;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC(C)[N+]1(CCCC(=O)C1)C(C)C.[Br-]

DOS

IR

Vibrations