Geometry & MOs

Info

ID:	163610
PubChem CID:	58097889
Reduced:	BrNOC15H16 (1)
Stoich.:	ABCD15E16 (1)
Weight, g/mol:	547.230491
ΔH_f, kcal/mol:	5.3
Dipole, Da:	2.5
IP(EA), eV:	-9.36(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[(1S,2S)-2-[[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methyl]cyclopentyl]methyl]-3-phenylbenzenesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC(C2=CC=C(C=C2)Br)O

DOS

IR

Vibrations