Geometry & MOs

Info

ID:	396450
PubChem CID:	135028433
Reduced:	BrS2N4O4H27C28 (1)
Stoich.:	AB2C4D4E27F28 (1)
Weight, g/mol:	367.099063
ΔH_f, kcal/mol:	3.6
Dipole, Da:	11.04
IP(EA), eV:	-9.3(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethenyl-2-(furan-2-yl)-1-(4-methylphenyl)sulfonylpyrrolidine-3,3-dicarbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2C=C(N=N2)CN(CC\3C/C3=C\C4=CC=C(C=C4)Br)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations