Geometry & MOs

Info

ID:	185311
PubChem CID:	77284717
Reduced:	ClSO2N5C18H22 (1)
Stoich.:	ABC2D5E18F22 (1)
Weight, g/mol:	221.038474
ΔH_f, kcal/mol:	2.19
Dipole, Da:	4.43
IP(EA), eV:	-8.83(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-cyano-4-prop-1-enyl-1-(sulfinatoamino)benzene

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC3C(NNC3S2)NC(=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations