Geometry & MOs

Info

ID:	124202
PubChem CID:	50874638
Reduced:	SF2N2O4C18H20 (1)
Stoich.:	AB2C2D4E18F20 (1)
Weight, g/mol:	390.161329
ΔH_f, kcal/mol:	-214.45
Dipole, Da:	9.76
IP(EA), eV:	-8.97(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,3-dimethyl-N-methylsulfonylanilino)-N-(4-methoxyphenyl)butanamide

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N(CCCC(=O)NC2=C(C=C(C=C2)F)F)S(=O)(=O)C

DOS

IR

Vibrations