Geometry & MOs

Info

ID:	193549
PubChem CID:	78405537
Reduced:	ON7C8H19 (1)
Stoich.:	AB7C8D19 (1)
Weight, g/mol:	330.115047
ΔH_f, kcal/mol:	37.69
Dipole, Da:	8.72
IP(EA), eV:	-8.05(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-ethoxyphenyl)-5-[(5-methylpyrazolidin-3-ylidene)methyl]-2-sulfanylideneimidazol-4-one

Drug info:

PubChemData

Smile

CN(C)C1NC(NC(=C(N)N=O)N1)N(C)C

DOS

IR

Vibrations