Geometry & MOs

Info

ID:	193551
PubChem CID:	78405935
Reduced:	SO2N3C13H13 (1)
Stoich.:	AB2C3D13E13 (1)
Weight, g/mol:	449.036768
ΔH_f, kcal/mol:	-11.56
Dipole, Da:	7.42
IP(EA), eV:	-8.83(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(1,3,3a,4,5,6,7,7a-octahydrobenzimidazol-2-ylidene)-3-cyano-2-oxopropyl] 3,6-dichloro-1-benzothiophene-2-carboxylate

Drug info:

PubChemData

Smile

C1CN=C2C1C(NC(=S)N2)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations