Geometry & MOs

Info

ID:	392665
PubChem CID:	135017557
Reduced:	O4H14C19 (1)
Stoich.:	A4B14C19 (1)
Weight, g/mol:	347.099143
ΔH_f, kcal/mol:	-86.67
Dipole, Da:	4.7
IP(EA), eV:	-9.26(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(2-fluorophenyl)-2-methylidene-3-oxobutyl]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC(=O)/C=C/C1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O

DOS

IR

Vibrations