Geometry & MOs

Info

ID:	54781
PubChem CID:	17389257
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	398.093643
ΔH_f, kcal/mol:	-53.89
Dipole, Da:	9.1
IP(EA), eV:	-8.91(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-1-phenyl-2-sulfanylidene-5-[(2,4,6-trimethoxyphenyl)methylidene]-1,3-diazinane-4,6-dione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)[N+](=O)[O-])C)C

DOS

IR

Vibrations