Geometry & MOs

Info

ID:	27797
PubChem CID:	823617
Reduced:	ClN2O2H13C17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	318.103814
ΔH_f, kcal/mol:	0.09
Dipole, Da:	1.95
IP(EA), eV:	-8.86(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-diethyl-5-[(2-methoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=NN(C(=O)[C@@H]1C(=O)C2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations