Geometry & MOs

Info

ID:	128309
PubChem CID:	51038584
Reduced:	F2N2O3C29H36 (1)
Stoich.:	A2B2C3D29E36 (1)
Weight, g/mol:	685.82721
ΔH_f, kcal/mol:	-180.23
Dipole, Da:	4.27
IP(EA), eV:	-8.87(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,4,5-tetrabromo-6-[(6-octoxypyridin-3-yl)carbamoyl]benzoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C)CN(C2CC2)C(=O)[C@H]3CNCCC34C5=CC(=C(C=C5CO4)F)F)CCCOC

DOS

IR

Vibrations