Geometry & MOs

Info

ID:	342366
PubChem CID:	127265189
Reduced:	ClSN2H9C11 (1)
Stoich.:	ABC2D9E11 (1)
Weight, g/mol:	319.135448
ΔH_f, kcal/mol:	77.07
Dipole, Da:	1.51
IP(EA), eV:	-9.36(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-cyanophenyl)prop-2-enyl]-N-ethylpyrrolidine-3-sulfonamide

Drug info:

PubChemData

Smile

CC(=CC1=CC=C(S1)Cl)C2=NC=CN=C2

DOS

IR

Vibrations