Geometry & MOs

Info

ID:	163892
PubChem CID:	74380645
Reduced:	NO6C16H23 (1)
Stoich.:	AB6C16D23 (1)
Weight, g/mol:	538.03735
ΔH_f, kcal/mol:	-209.73
Dipole, Da:	3.04
IP(EA), eV:	-8.81(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-7-(2,6-difluorophenyl)-2-[3-(oxan-2-yloxy)pyrrolidine-1-carbonyl]thieno[2,3-b]pyridin-6-one

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1OC)OC)C=CC(=O)NCCOCCO

DOS

IR

Vibrations