Geometry & MOs

Info

ID:	171522
PubChem CID:	75388314
Reduced:	SN6C17H18 (1)
Stoich.:	AB6C17D18 (1)
Weight, g/mol:	347.049526
ΔH_f, kcal/mol:	113.8
Dipole, Da:	5.19
IP(EA), eV:	-8.62(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[(4-cyanophenyl)methyl]-N-prop-2-enylpyridine-3-sulfonamide

Drug info:

PubChemData

Smile

C1CC(C2=NC=NN2C1)NC3=CN=CC(=N3)SCC4=CC=CC=C4

DOS

IR

Vibrations