Geometry & MOs

Info

ID:	434955
PubChem CID:	135176053
Reduced:	SN3O3F5C30H32 (1)
Stoich.:	AB3C3D5E30F32 (1)
Weight, g/mol:	457.07111
ΔH_f, kcal/mol:	-321.21
Dipole, Da:	2.48
IP(EA), eV:	-8.78(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-bromophenyl)sulfonyl-N-[(3E,5Z)-3,4-dimethylocta-1,3,5,7-tetraen-2-yl]-2-methylaniline

Drug info:

PubChemData

Smile

C1CCC(C1)OC2=CC3=C(C=C2)C=C(C=C3)S(=O)N[C@@H](C(=O)N4CCC(CC4)N)C(C5=CC=C(C=C5)C(F)(F)F)(F)F

DOS

IR

Vibrations