Geometry & MOs

Info

ID:	446884
PubChem CID:	135278453
Reduced:	N2O3C10H12 (1)
Stoich.:	A2B3C10D12 (1)
Weight, g/mol:	451.02416
ΔH_f, kcal/mol:	-101.18
Dipole, Da:	2.56
IP(EA), eV:	-10.38(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(azetidin-3-yl)phenoxy]-2-(4-bromophenyl)-1-benzothiophen-6-ol

Drug info:

PubChemData

Smile

C=CC(=C)C(=O)NC1CCC(=O)NC1=O

DOS

IR

Vibrations