Geometry & MOs

Info

ID:	427030
PubChem CID:	135155132
Reduced:	BrSF2N3O4C27H30 (1)
Stoich.:	ABC2D3E4F27G30 (1)
Weight, g/mol:	299.043914
ΔH_f, kcal/mol:	-206.62
Dipole, Da:	5.03
IP(EA), eV:	-8.98(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-methoxy-5-(trifluoromethyl)pyridin-3-yl]ethyl methanesulfonate

Drug info:

PubChemData

Smile

CC(C)OC1=CC2=C(C=C1)C=C(C=C2)S(=O)(=O)NC(C(=O)N3CCC(CC3)N)C(C4=CC=C(C=C4)Br)(F)F

DOS

IR

Vibrations