Geometry & MOs

Info

ID:	207800
PubChem CID:	80450426
Reduced:	SN2O4C13H20 (1)
Stoich.:	AB2C4D13E20 (1)
Weight, g/mol:	291.110456
ΔH_f, kcal/mol:	-82.84
Dipole, Da:	7.15
IP(EA), eV:	-9.37(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-difluorophenyl)sulfonyl-N-ethyl-3-methylbutan-2-amine

Drug info:

PubChemData

Smile

CCNC(CS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(C)C

DOS

IR

Vibrations