Geometry & MOs

Info

ID:	382987
PubChem CID:	134974457
Reduced:	NOC5H6 (2)
Stoich.:	ABC5D6 (2)
Weight, g/mol:	309.093583
ΔH_f, kcal/mol:	-63.42
Dipole, Da:	5.0
IP(EA), eV:	-8.62(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-5-benzylidene-3-methyl-1-(pyridin-2-ylmethyl)-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

CN1C=CC=C1N2C(=O)CCCC2=O

DOS

IR

Vibrations