Geometry & MOs

Info

ID:	174961
PubChem CID:	75839186
Reduced:	SF3N3O4C14H18 (1)
Stoich.:	AB3C3D4E14F18 (1)
Weight, g/mol:	361.168936
ΔH_f, kcal/mol:	-292.42
Dipole, Da:	5.27
IP(EA), eV:	-9.16(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3,4-dimethoxyphenyl)ethyl-methylazaniumyl]-2-(4-fluoro-3-methylphenyl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C1CNNC1S(=O)(=O)NC2=CC(=C(C=C2)C)C(F)(F)F

DOS

IR

Vibrations