Geometry & MOs

Info

ID:	27876
PubChem CID:	824000
Reduced:	ON2C5H7 (2)
Stoich.:	AB2C5D7 (2)
Weight, g/mol:	348.114378
ΔH_f, kcal/mol:	-64.97
Dipole, Da:	7.96
IP(EA), eV:	-9.15(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S)-butan-2-yl]-5-[(3,4-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CCCN1C(=NC2=C1NC(=O)N(C2=O)C)C

DOS

IR

Vibrations