Geometry & MOs

Info

ID:	391855
PubChem CID:	135010266
Reduced:	F3N4O4H19C21 (1)
Stoich.:	A3B4C4D19E21 (1)
Weight, g/mol:	238.077599
ΔH_f, kcal/mol:	-214.42
Dipole, Da:	5.44
IP(EA), eV:	-9.39(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5S)-3-(furan-2-ylmethyl)-5-propan-2-yl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CN(N=N1)C2=CC=CC=C2)(C(F)(F)F)NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations