Geometry & MOs

Info

ID:	441718
PubChem CID:	135241834
Reduced:	BrFN2H18C26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	729.193198
ΔH_f, kcal/mol:	127.37
Dipole, Da:	6.97
IP(EA), eV:	-9.02(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-(oxan-4-yl)phenyl]methyl]-1-(2,3,4,5,6-pentafluorophenyl)sulfonyl-N-[4-(phenylmethoxycarbamoyl)phenyl]azetidine-2-carboxamide

Drug info:

PubChemData

Smile

C1C=CC=C2C1=NN=C2C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=C(C(=CC=C5)F)Br

DOS

IR

Vibrations