Geometry & MOs

Info

ID:	396501
PubChem CID:	135028594
Reduced:	NSO3C16H17 (1)
Stoich.:	ABC3D16E17 (1)
Weight, g/mol:	408.99834
ΔH_f, kcal/mol:	-54.13
Dipole, Da:	6.23
IP(EA), eV:	-9.68(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[4-(bromomethyl)-4-phenyl-1,3-dioxolan-2-ylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC2(CO)C3=CC=CC=C3

DOS

IR

Vibrations