Geometry & MOs

Info

ID:	382447
PubChem CID:	134973603
Reduced:	PSO2H21C24 (1)
Stoich.:	ABC2D21E24 (1)
Weight, g/mol:	335.039834
ΔH_f, kcal/mol:	-32.81
Dipole, Da:	2.62
IP(EA), eV:	-8.57(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-cyano-2-(1,3-dithiolan-2-ylidene)-1-(4-nitrophenyl)ethyl]acetamide

Drug info:

PubChemData

Smile

CCSCCP1OC2=C(C3=CC=CC=C3C=C2)C4=C(O1)C=CC5=CC=CC=C54

DOS

IR

Vibrations