Geometry & MOs

Info

ID:	60401
PubChem CID:	26684373
Reduced:	FO2S2N3H14C20 (1)
Stoich.:	AB2C2D3E14F20 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-9.81
Dipole, Da:	2.66
IP(EA), eV:	-8.99(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[(1R)-1-(2-methoxyphenyl)ethyl]-5-methyl-2-sulfanylideneimidazolidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)NC(=O)CSC4=CC=C(C=C4)F

DOS

IR

Vibrations