Geometry & MOs

Info

ID:	403375
PubChem CID:	135059919
Reduced:	ClON2H13C19 (1)
Stoich.:	ABC2D13E19 (1)
Weight, g/mol:	281.041845
ΔH_f, kcal/mol:	54.27
Dipole, Da:	3.47
IP(EA), eV:	-8.84(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[4-(3-nitrophenyl)-1,3-dithietan-2-ylidene]pyrrolidin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(C=C(C=C3)Cl)C4=C2N=C(C=C4)C=O

DOS

IR

Vibrations