Geometry & MOs

Info

ID:	128920
PubChem CID:	51063672
Reduced:	ClN2O2H11C14 (1)
Stoich.:	AB2C2D11E14 (1)
Weight, g/mol:	269.062283
ΔH_f, kcal/mol:	21.09
Dipole, Da:	3.58
IP(EA), eV:	-9.37(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-3-phenyl-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CC\1=NC2=CC=CC=C2/C1=C\C3=C(NOC3=O)CCl

DOS

IR

Vibrations