Geometry & MOs

Info

ID:	57508
PubChem CID:	22400339
Reduced:	FNSO2C17H25 (1)
Stoich.:	ABCD2E17F25 (1)
Weight, g/mol:	510.83369
ΔH_f, kcal/mol:	-133.01
Dipole, Da:	8.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754760
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-[2,6-dichloro-4-[(E)-3,3-dichloroprop-1-enoxy]phenoxy]-5-(trifluoromethyl)pyridine

Drug info:

PubChemData

Smile

CCC[N+]1(CCC(CC1)CC2=C(C=CC(=C2)OC)F)C(=O)S

DOS

IR

Vibrations