Geometry & MOs

Info

ID:	29962
PubChem CID:	838577
Reduced:	ClN2O4H13C17 (1)
Stoich.:	AB2C4D13E17 (1)
Weight, g/mol:	294.04967
ΔH_f, kcal/mol:	-97.97
Dipole, Da:	4.1
IP(EA), eV:	-8.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-3-[[(2S)-oxolan-2-yl]methyl]-2-sulfanylidene-5-(thiophen-2-ylmethylidene)imidazolidin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=O)N2)C3=CC=C(C=C3)Cl)O

DOS

IR

Vibrations