Geometry & MOs

Info

ID:	27745
PubChem CID:	823371
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	264.056863
ΔH_f, kcal/mol:	-90.89
Dipole, Da:	3.62
IP(EA), eV:	-8.69(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[(5-methylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)NC(=O)COC2=CC=C(C=C2)OC)C

DOS

IR

Vibrations