Geometry & MOs

Info

ID:	203599
PubChem CID:	79850208
Reduced:	NSF2O3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	270.140199
ΔH_f, kcal/mol:	-190.47
Dipole, Da:	3.95
IP(EA), eV:	-9.57(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(ethylaminomethyl)-N-methyl-N-(2-methylsulfonylethyl)aniline

Drug info:

PubChemData

Smile

CN(CCS(=O)(=O)C)CC(=O)C1=C(C=C(C=C1)F)F

DOS

IR

Vibrations