Geometry & MOs

Info

ID:	391423
PubChem CID:	135004969
Reduced:	BrNO2C13H14 (1)
Stoich.:	ABC2D13E14 (1)
Weight, g/mol:	493.245079
ΔH_f, kcal/mol:	-55.42
Dipole, Da:	4.84
IP(EA), eV:	-8.53(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-N-[(E)-1-fluoro-2-phenylethenyl]-2,4,6-tri(propan-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C=C(/N2CCCC2=O)\Br

DOS

IR

Vibrations